N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide

C178H186N36O14 — CID 158025617

IUPACN-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide
SMILESCC(=O)NC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5cccnc5)nc5ccn(C)c45)c3)cc2C)CC1.CC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5ccncc5)nc5ccn(C)c45)c3)cc2C)CC1.CCC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5cccnc5)nc5ccn(C)c45)c3)cc2C)CC1.CCC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5ccncc5)nc5ccn(C)c45)c3)cc2C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2-c2ccncc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C37H36N8O2.2C36H39N7O3.C35H37N7O3.C34H35N7O3/c1-25-22-29(5-4-28(25)24-45-20-18-43(2)19-21-45)40-36(46)32-23-30(6-7-31(32)26-8-13-38-14-9-26)47-37-34-33(12-17-44(34)3)41-35(42-37)27-10-15-39-16-11-27;1-5-32(44)38-22-25-12-18-43(19-13-25)30-9-8-28(20-24(30)3)39-35(45)27-7-6-23(2)31(21-27)46-36-33-29(14-17-42(33)4)40-34(41-36)26-10-15-37-16-11-26;1-5-32(44)38-21-25-12-17-43(18-13-25)30-11-10-28(19-24(30)3)39-35(45)26-9-8-23(2)31(20-26)46-36-33-29(14-16-42(33)4)40-34(41-36)27-7-6-15-37-22-27;1-22-5-6-27(20-31(22)45-35-32-29(13-16-41(32)4)39-33(40-35)26-9-14-36-15-10-26)34(44)38-28-7-8-30(23(2)19-28)42-17-11-25(12-18-42)21-37-24(3)43;1-21-7-8-24(33(43)37-27-9-10-29(22(2)18-27)41-16-11-26(12-17-41)36-23(3)42)19-30(21)44-34-31-28(13-15-40(31)4)38-32(39-34)25-6-5-14-35-20-25/h4-17,22-23H,18-21,24H2,1-3H3,(H,40,46);6-11,14-17,20-21,25H,5,12-13,18-19,22H2,1-4H3,(H,38,44)(H,39,45);6-11,14-16,19-20,22,25H,5,12-13,17-18,21H2,1-4H3,(H,38,44)(H,39,45);5-10,13-16,19-20,25H,11-12,17-18,21H2,1-4H3,(H,37,43)(H,38,44);5-10,13-15,18-20,26H,11-12,16-17H2,1-4H3,(H,36,42)(H,37,43)
InChIKeyFGONXRRLTOFCAH-UHFFFAOYSA-N
MW3053.68 g/mol
LogP30.90
Rot. Bonds41

About N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide

N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 158025617) has the molecular formula C178H186N36O14 and a molecular weight of 3053.68 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide
PubChem CID158025617
Molecular FormulaC178H186N36O14
Molecular Weight3053.68 g/mol
Exact Mass3051.49
IUPAC NameN-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide
SMILESCC(=O)NC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5cccnc5)nc5ccn(C)c45)c3)cc2C)CC1.CC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5ccncc5)nc5ccn(C)c45)c3)cc2C)CC1.CCC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5cccnc5)nc5ccn(C)c45)c3)cc2C)CC1.CCC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5ccncc5)nc5ccn(C)c45)c3)cc2C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2-c2ccncc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C37H36N8O2.2C36H39N7O3.C35H37N7O3.C34H35N7O3/c1-25-22-29(5-4-28(25)24-45-20-18-43(2)19-21-45)40-36(46)32-23-30(6-7-31(32)26-8-13-38-14-9-26)47-37-34-33(12-17-44(34)3)41-35(42-37)27-10-15-39-16-11-27;1-5-32(44)38-22-25-12-18-43(19-13-25)30-9-8-28(20-24(30)3)39-35(45)27-7-6-23(2)31(21-27)46-36-33-29(14-17-42(33)4)40-34(41-36)26-10-15-37-16-11-26;1-5-32(44)38-21-25-12-17-43(18-13-25)30-11-10-28(19-24(30)3)39-35(45)26-9-8-23(2)31(20-26)46-36-33-29(14-16-42(33)4)40-34(41-36)27-7-6-15-37-22-27;1-22-5-6-27(20-31(22)45-35-32-29(13-16-41(32)4)39-33(40-35)26-9-14-36-15-10-26)34(44)38-28-7-8-30(23(2)19-28)42-17-11-25(12-18-42)21-37-24(3)43;1-21-7-8-24(33(43)37-27-9-10-29(22(2)18-27)41-16-11-26(12-17-41)36-23(3)42)19-30(21)44-34-31-28(13-15-40(31)4)38-32(39-34)25-6-5-14-35-20-25/h4-17,22-23H,18-21,24H2,1-3H3,(H,40,46);6-11,14-17,20-21,25H,5,12-13,18-19,22H2,1-4H3,(H,38,44)(H,39,45);6-11,14-16,19-20,22,25H,5,12-13,17-18,21H2,1-4H3,(H,38,44)(H,39,45);5-10,13-16,19-20,25H,11-12,17-18,21H2,1-4H3,(H,37,43)(H,38,44);5-10,13-15,18-20,26H,11-12,16-17H2,1-4H3,(H,36,42)(H,37,43)
InChIKeyFGONXRRLTOFCAH-UHFFFAOYSA-N
XLogP30.90
TPSA558.38 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.68
LogP ≤ 530.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide (CID 158025617) is N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide is CC(=O)NC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5cccnc5)nc5ccn(C)c45)c3)cc2C)CC1.CC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5ccncc5)nc5ccn(C)c45)c3)cc2C)CC1.CCC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5cccnc5)nc5ccn(C)c45)c3)cc2C)CC1.CCC(=O)NCC1CCN(c2ccc(NC(=O)c3ccc(C)c(Oc4nc(-c5ccncc5)nc5ccn(C)c45)c3)cc2C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2-c2ccncc2)ccc1CN1CCN(C)CC1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide?
The InChIKey is FGONXRRLTOFCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N8O2.2C36H39N7O3.C35H37N7O3.C34H35N7O3/c1-25-22-29(5-4-28(25)24-45-20-18-43(2)19-21-45)40-36(46)32-23-30(6-7-31(32)26-8-13-38-14-9-26)47-37-34-33(12-17-44(34)3)41-35(42-37)27-10-15-39-16-11-27;1-5-32(44)38-22-25-12-18-43(19-13-25)30-9-8-28(20-24(30)3)39-35(45)27-7-6-23(2)31(21-27)46-36-33-29(14-17-42(33)4)40-34(41-36)26-10-15-37-16-11-26;1-5-32(44)38-21-25-12-17-43(18-13-25)30-11-10-28(19-24(30)3)39-35(45)26-9-8-23(2)31(20-26)46-36-33-29(14-16-42(33)4)40-34(41-36)27-7-6-15-37-22-27;1-22-5-6-27(20-31(22)45-35-32-29(13-16-41(32)4)39-33(40-35)26-9-14-36-15-10-26)34(44)38-28-7-8-30(23(2)19-28)42-17-11-25(12-18-42)21-37-24(3)43;1-21-7-8-24(33(43)37-27-9-10-29(22(2)18-27)41-16-11-26(12-17-41)36-23(3)42)19-30(21)44-34-31-28(13-15-40(31)4)38-32(39-34)25-6-5-14-35-20-25/h4-17,22-23H,18-21,24H2,1-3H3,(H,40,46);6-11,14-17,20-21,25H,5,12-13,18-19,22H2,1-4H3,(H,38,44)(H,39,45);6-11,14-16,19-20,22,25H,5,12-13,17-18,21H2,1-4H3,(H,38,44)(H,39,45);5-10,13-16,19-20,25H,11-12,17-18,21H2,1-4H3,(H,37,43)(H,38,44);5-10,13-15,18-20,26H,11-12,16-17H2,1-4H3,(H,36,42)(H,37,43).
What are the key properties of N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide?
N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 3053.68 g/mol, XLogP of 30.90, 41 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)piperidin-1-yl]-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[4-(4-acetamidopiperidin-1-yl)-3-methylphenyl]-4-methyl-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-2-pyridin-4-ylbenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[4-[(propanoylamino)methyl]piperidin-1-yl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 158025617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).