4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C109H134N22O5 — CID 159619479

IUPAC4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)CN(C)C(=O)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.CC1CN(C(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)CCN1C.O=C(NCc1ccco1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C30H34N6O.C27H36N6O.C26H29N5O2.C26H35N5O/c37-30(36-18-15-24(20-36)23-5-4-16-31-19-23)22-11-8-21(9-12-22)10-13-26-28-27(35-34-26)14-17-32-29(28)33-25-6-2-1-3-7-25;1-19-18-33(17-16-32(19)2)27(34)21-11-8-20(9-12-21)10-13-23-25-24(31-30-23)14-15-28-26(25)29-22-6-4-3-5-7-22;32-26(28-17-21-7-4-16-33-21)19-11-8-18(9-12-19)10-13-22-24-23(31-30-22)14-15-27-25(24)29-20-5-2-1-3-6-20;1-18(2)17-31(3)26(32)20-12-9-19(10-13-20)11-14-22-24-23(30-29-22)15-16-27-25(24)28-21-7-5-4-6-8-21/h4-5,8-9,11-12,14,16-17,19,24-25H,1-3,6-7,10,13,15,18,20H2,(H,32,33)(H,34,35);8-9,11-12,14-15,19,22H,3-7,10,13,16-18H2,1-2H3,(H,28,29)(H,30,31);4,7-9,11-12,14-16,20H,1-3,5-6,10,13,17H2,(H,27,29)(H,28,32)(H,30,31);9-10,12-13,15-16,18,21H,4-8,11,14,17H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyMNSBJRIPRWEZJO-UHFFFAOYSA-N
MW1832.42 g/mol
LogP20.00
Rot. Bonds29

About 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 159619479) has the molecular formula C109H134N22O5 and a molecular weight of 1832.42 g/mol. Its IUPAC name is 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID159619479
Molecular FormulaC109H134N22O5
Molecular Weight1832.42 g/mol
Exact Mass1831.09
IUPAC Name4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)CN(C)C(=O)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.CC1CN(C(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)CCN1C.O=C(NCc1ccco1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C30H34N6O.C27H36N6O.C26H29N5O2.C26H35N5O/c37-30(36-18-15-24(20-36)23-5-4-16-31-19-23)22-11-8-21(9-12-22)10-13-26-28-27(35-34-26)14-17-32-29(28)33-25-6-2-1-3-7-25;1-19-18-33(17-16-32(19)2)27(34)21-11-8-20(9-12-21)10-13-23-25-24(31-30-23)14-15-28-26(25)29-22-6-4-3-5-7-22;32-26(28-17-21-7-4-16-33-21)19-11-8-18(9-12-19)10-13-22-24-23(31-30-22)14-15-27-25(24)29-20-5-2-1-3-6-20;1-18(2)17-31(3)26(32)20-12-9-19(10-13-20)11-14-22-24-23(30-29-22)15-16-27-25(24)28-21-7-5-4-6-8-21/h4-5,8-9,11-12,14,16-17,19,24-25H,1-3,6-7,10,13,15,18,20H2,(H,32,33)(H,34,35);8-9,11-12,14-15,19,22H,3-7,10,13,16-18H2,1-2H3,(H,28,29)(H,30,31);4,7-9,11-12,14-16,20H,1-3,5-6,10,13,17H2,(H,27,29)(H,28,32)(H,30,31);9-10,12-13,15-16,18,21H,4-8,11,14,17H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyMNSBJRIPRWEZJO-UHFFFAOYSA-N
XLogP20.00
TPSA333.70 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.42
LogP ≤ 520.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 159619479) is 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is CC(C)CN(C)C(=O)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.CC1CN(C(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)CCN1C.O=C(NCc1ccco1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)N1CCC(c2cccnc2)C1.
What is the InChIKey of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is MNSBJRIPRWEZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O.C27H36N6O.C26H29N5O2.C26H35N5O/c37-30(36-18-15-24(20-36)23-5-4-16-31-19-23)22-11-8-21(9-12-22)10-13-26-28-27(35-34-26)14-17-32-29(28)33-25-6-2-1-3-7-25;1-19-18-33(17-16-32(19)2)27(34)21-11-8-20(9-12-21)10-13-23-25-24(31-30-23)14-15-28-26(25)29-22-6-4-3-5-7-22;32-26(28-17-21-7-4-16-33-21)19-11-8-18(9-12-19)10-13-22-24-23(31-30-22)14-15-27-25(24)29-20-5-2-1-3-6-20;1-18(2)17-31(3)26(32)20-12-9-19(10-13-20)11-14-22-24-23(30-29-22)15-16-27-25(24)28-21-7-5-4-6-8-21/h4-5,8-9,11-12,14,16-17,19,24-25H,1-3,6-7,10,13,15,18,20H2,(H,32,33)(H,34,35);8-9,11-12,14-15,19,22H,3-7,10,13,16-18H2,1-2H3,(H,28,29)(H,30,31);4,7-9,11-12,14-16,20H,1-3,5-6,10,13,17H2,(H,27,29)(H,28,32)(H,30,31);9-10,12-13,15-16,18,21H,4-8,11,14,17H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 1832.42 g/mol, XLogP of 20.00, 29 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide;4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-methyl-N-(2-methylpropyl)benzamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 159619479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).