2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C20H24N6O2S — CID 123827152

IUPAC2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NC1CCCNC1)c1ccnc2nc(-c3cc(N4CC[C@H](O)C4)cs3)[nH]c12
InChIInChI=1S/C20H24N6O2S/c27-14-4-7-26(10-14)13-8-16(29-11-13)18-24-17-15(3-6-22-19(17)25-18)20(28)23-12-2-1-5-21-9-12/h3,6,8,11-12,14,21,27H,1-2,4-5,7,9-10H2,(H,23,28)(H,22,24,25)/t12?,14-/m0/s1
InChIKeyBPDWULHLPNCDQC-PYMCNQPYSA-N
MW412.52 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 123827152) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID123827152
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NC1CCCNC1)c1ccnc2nc(-c3cc(N4CC[C@H](O)C4)cs3)[nH]c12
InChIInChI=1S/C20H24N6O2S/c27-14-4-7-26(10-14)13-8-16(29-11-13)18-24-17-15(3-6-22-19(17)25-18)20(28)23-12-2-1-5-21-9-12/h3,6,8,11-12,14,21,27H,1-2,4-5,7,9-10H2,(H,23,28)(H,22,24,25)/t12?,14-/m0/s1
InChIKeyBPDWULHLPNCDQC-PYMCNQPYSA-N
XLogP1.74
TPSA106.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide with MolForge

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Related Compounds

N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
US10100058, Example 315
CID 134540047
US10100058, Example 316
CID 134540172
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766788
N-[2-[4-(dimethylsulfamoylamino)phenyl]ethyl]-2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766848
N-(4-ethylsulfanyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766916
N-[(3S)-piperidin-3-yl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49836037
3H-Imidazo[4,5-b]pyridine-7-carboxamide, N-(3S)-3-piperidinyl-2-(2-thienyl)-
CID 49855487
N-(piperidin-3-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49855488
N-(4-aminocyclohexyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49855677
N-[[(3R)-piperidin-3-yl]methyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49855678
N-[[(3S)-piperidin-3-yl]methyl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49855679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 123827152) is 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NC1CCCNC1)c1ccnc2nc(-c3cc(N4CC[C@H](O)C4)cs3)[nH]c12.
What is the InChIKey of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is BPDWULHLPNCDQC-PYMCNQPYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c27-14-4-7-26(10-14)13-8-16(29-11-13)18-24-17-15(3-6-22-19(17)25-18)20(28)23-12-2-1-5-21-9-12/h3,6,8,11-12,14,21,27H,1-2,4-5,7,9-10H2,(H,23,28)(H,22,24,25)/t12?,14-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]thiophen-2-yl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 123827152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).