N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C113H115N27O13 — CID 159856171

IUPACN-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnn4C)c[nH]c3n2)c(OC)c1.COc1cc(-c2cnn(C)c2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(-n2cccn2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC2CCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1
InChIInChI=1S/C32H34N6O4.C30H29N7O3.C29H27N7O3.C22H25N7O3/c1-18-34-25-13-11-19(15-27(25)41-18)23-17-33-29-28(23)31(42-22-9-5-6-10-22)38-32(37-29)36-24-14-12-20(16-26(24)40-2)30(39)35-21-7-3-4-8-21;1-17-33-24-11-9-19(13-26(24)39-17)22-15-31-28-27(22)29(40-21-6-4-5-7-21)36-30(35-28)34-23-10-8-18(12-25(23)38-3)20-14-32-37(2)16-20;1-17-32-23-10-8-18(14-25(23)38-17)21-16-30-27-26(21)28(39-20-6-3-4-7-20)35-29(34-27)33-22-11-9-19(15-24(22)37-2)36-13-5-12-31-36;1-12(2)32-21-18-14(16-8-9-25-29(16)4)11-24-19(18)27-22(28-21)26-15-7-6-13(20(30)23-3)10-17(15)31-5/h11-17,21-22H,3-10H2,1-2H3,(H,35,39)(H2,33,36,37,38);8-16,21H,4-7H2,1-3H3,(H2,31,34,35,36);5,8-16,20H,3-4,6-7H2,1-2H3,(H2,30,33,34,35);6-12H,1-5H3,(H,23,30)(H2,24,26,27,28)
InChIKeyNQODZZDLCULHJW-UHFFFAOYSA-N
MW2059.34 g/mol
LogP22.96
Rot. Bonds29

About N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 159856171) has the molecular formula C113H115N27O13 and a molecular weight of 2059.34 g/mol. Its IUPAC name is N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
PubChem CID159856171
Molecular FormulaC113H115N27O13
Molecular Weight2059.34 g/mol
Exact Mass2057.92
IUPAC NameN-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnn4C)c[nH]c3n2)c(OC)c1.COc1cc(-c2cnn(C)c2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(-n2cccn2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC2CCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1
InChIInChI=1S/C32H34N6O4.C30H29N7O3.C29H27N7O3.C22H25N7O3/c1-18-34-25-13-11-19(15-27(25)41-18)23-17-33-29-28(23)31(42-22-9-5-6-10-22)38-32(37-29)36-24-14-12-20(16-26(24)40-2)30(39)35-21-7-3-4-8-21;1-17-33-24-11-9-19(13-26(24)39-17)22-15-31-28-27(22)29(40-21-6-4-5-7-21)36-30(35-28)34-23-10-8-18(12-25(23)38-3)20-14-32-37(2)16-20;1-17-32-23-10-8-18(14-25(23)38-17)21-16-30-27-26(21)28(39-20-6-3-4-7-20)35-29(34-27)33-22-11-9-19(15-24(22)37-2)36-13-5-12-31-36;1-12(2)32-21-18-14(16-8-9-25-29(16)4)11-24-19(18)27-22(28-21)26-15-7-6-13(20(30)23-3)10-17(15)31-5/h11-17,21-22H,3-10H2,1-2H3,(H,35,39)(H2,33,36,37,38);8-16,21H,4-7H2,1-3H3,(H2,31,34,35,36);5,8-16,20H,3-4,6-7H2,1-2H3,(H2,30,33,34,35);6-12H,1-5H3,(H,23,30)(H2,24,26,27,28)
InChIKeyNQODZZDLCULHJW-UHFFFAOYSA-N
XLogP22.96
TPSA477.99 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002059.34
LogP ≤ 522.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 159856171) is N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnn4C)c[nH]c3n2)c(OC)c1.COc1cc(-c2cnn(C)c2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(-n2cccn2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.COc1cc(C(=O)NC2CCCC2)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc4nc(C)oc4c3)c[nH]c2n1.
What is the InChIKey of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?
The InChIKey is NQODZZDLCULHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4.C30H29N7O3.C29H27N7O3.C22H25N7O3/c1-18-34-25-13-11-19(15-27(25)41-18)23-17-33-29-28(23)31(42-22-9-5-6-10-22)38-32(37-29)36-24-14-12-20(16-26(24)40-2)30(39)35-21-7-3-4-8-21;1-17-33-24-11-9-19(13-26(24)39-17)22-15-31-28-27(22)29(40-21-6-4-5-7-21)36-30(35-28)34-23-10-8-18(12-25(23)38-3)20-14-32-37(2)16-20;1-17-32-23-10-8-18(14-25(23)38-17)21-16-30-27-26(21)28(39-20-6-3-4-7-20)35-29(34-27)33-22-11-9-19(15-24(22)37-2)36-13-5-12-31-36;1-12(2)32-21-18-14(16-8-9-25-29(16)4)11-24-19(18)27-22(28-21)26-15-7-6-13(20(30)23-3)10-17(15)31-5/h11-17,21-22H,3-10H2,1-2H3,(H,35,39)(H2,33,36,37,38);8-16,21H,4-7H2,1-3H3,(H2,31,34,35,36);5,8-16,20H,3-4,6-7H2,1-2H3,(H2,30,33,34,35);6-12H,1-5H3,(H,23,30)(H2,24,26,27,28).
What are the key properties of N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?
N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 2059.34 g/mol, XLogP of 22.96, 29 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(2-methoxy-4-pyrazol-1-ylphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(2-methylpyrazol-3-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 159856171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).