3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide

C82H90Cl3N13O13S3 — CID 158508746

IUPAC3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCC(NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1ccco1.COc1cccc([C@@H](C)NC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.CS(=O)(=O)c1cnc(N2CCC(CCn3ccc4cccnc43)CC2)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C29H33ClN4O5S.C27H28ClN5O3S.C26H29ClN4O5S/c1-19(21-6-5-9-24(16-21)39-2)32-27(35)14-20-10-12-34(13-11-20)28-26(17-25(18-31-28)40(3,37)38)33-29(36)22-7-4-8-23(30)15-22;1-37(35,36)23-17-24(31-27(34)21-4-2-6-22(28)16-21)26(30-18-23)33-13-8-19(9-14-33)7-12-32-15-10-20-5-3-11-29-25(20)32;1-17(23-7-4-12-36-23)29-24(32)13-18-8-10-31(11-9-18)25-22(15-21(16-28-25)37(2,34)35)30-26(33)19-5-3-6-20(27)14-19/h4-9,15-20H,10-14H2,1-3H3,(H,32,35)(H,33,36);2-6,10-11,15-19H,7-9,12-14H2,1H3,(H,31,34);3-7,12,14-18H,8-11,13H2,1-2H3,(H,29,32)(H,30,33)/t19-;;/m1../s1
InChIKeyHKUBKPVMCKVDCA-JQDLGSOUSA-N
MW1668.26 g/mol
LogP14.40
Rot. Bonds24

About 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide

3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 158508746) has the molecular formula C82H90Cl3N13O13S3 and a molecular weight of 1668.26 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID158508746
Molecular FormulaC82H90Cl3N13O13S3
Molecular Weight1668.26 g/mol
Exact Mass1665.50
IUPAC Name3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCC(NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1ccco1.COc1cccc([C@@H](C)NC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.CS(=O)(=O)c1cnc(N2CCC(CCn3ccc4cccnc43)CC2)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C29H33ClN4O5S.C27H28ClN5O3S.C26H29ClN4O5S/c1-19(21-6-5-9-24(16-21)39-2)32-27(35)14-20-10-12-34(13-11-20)28-26(17-25(18-31-28)40(3,37)38)33-29(36)22-7-4-8-23(30)15-22;1-37(35,36)23-17-24(31-27(34)21-4-2-6-22(28)16-21)26(30-18-23)33-13-8-19(9-14-33)7-12-32-15-10-20-5-3-11-29-25(20)32;1-17(23-7-4-12-36-23)29-24(32)13-18-8-10-31(11-9-18)25-22(15-21(16-28-25)37(2,34)35)30-26(33)19-5-3-6-20(27)14-19/h4-9,15-20H,10-14H2,1-3H3,(H,32,35)(H,33,36);2-6,10-11,15-19H,7-9,12-14H2,1H3,(H,31,34);3-7,12,14-18H,8-11,13H2,1-2H3,(H,29,32)(H,30,33)/t19-;;/m1../s1
InChIKeyHKUBKPVMCKVDCA-JQDLGSOUSA-N
XLogP14.40
TPSA336.50 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.26
LogP ≤ 514.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 158508746) is 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is CC(NC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1)c1ccco1.COc1cccc([C@@H](C)NC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)c1.CS(=O)(=O)c1cnc(N2CCC(CCn3ccc4cccnc43)CC2)c(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is HKUBKPVMCKVDCA-JQDLGSOUSA-N. The full InChI is InChI=1S/C29H33ClN4O5S.C27H28ClN5O3S.C26H29ClN4O5S/c1-19(21-6-5-9-24(16-21)39-2)32-27(35)14-20-10-12-34(13-11-20)28-26(17-25(18-31-28)40(3,37)38)33-29(36)22-7-4-8-23(30)15-22;1-37(35,36)23-17-24(31-27(34)21-4-2-6-22(28)16-21)26(30-18-23)33-13-8-19(9-14-33)7-12-32-15-10-20-5-3-11-29-25(20)32;1-17(23-7-4-12-36-23)29-24(32)13-18-8-10-31(11-9-18)25-22(15-21(16-28-25)37(2,34)35)30-26(33)19-5-3-6-20(27)14-19/h4-9,15-20H,10-14H2,1-3H3,(H,32,35)(H,33,36);2-6,10-11,15-19H,7-9,12-14H2,1H3,(H,31,34);3-7,12,14-18H,8-11,13H2,1-2H3,(H,29,32)(H,30,33)/t19-;;/m1../s1.
What are the key properties of 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 1668.26 g/mol, XLogP of 14.40, 24 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[5-methylsulfonyl-2-[4-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 158508746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).