N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C25H18N8OS — CID 137055640

IUPACN-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1)C1CC1
InChIInChI=1S/C25H18N8OS/c34-25(13-1-2-13)29-16-7-15(9-26-10-16)19-8-18-20(11-28-19)32-33-22(18)24-30-21-17(14-4-6-35-12-14)3-5-27-23(21)31-24/h3-13H,1-2H2,(H,29,34)(H,32,33)(H,27,30,31)
InChIKeyVGOSQKKJRGUWNK-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.04
Rot. Bonds5

About N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137055640) has the molecular formula C25H18N8OS and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID137055640
Molecular FormulaC25H18N8OS
Molecular Weight478.54 g/mol
Exact Mass478.13
IUPAC NameN-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1)C1CC1
InChIInChI=1S/C25H18N8OS/c34-25(13-1-2-13)29-16-7-15(9-26-10-16)19-8-18-20(11-28-19)32-33-22(18)24-30-21-17(14-4-6-35-12-14)3-5-27-23(21)31-24/h3-13H,1-2H2,(H,29,34)(H,32,33)(H,27,30,31)
InChIKeyVGOSQKKJRGUWNK-UHFFFAOYSA-N
XLogP5.04
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137055492
3-methyl-N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137055634
N-[5-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137055453
N-[5-[3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137055469
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137055108
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035753
N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137055536
N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035131
N-[5-[3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137174394
2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937438
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937613
2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145035022

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137055640) is N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)c1)C1CC1.
What is the InChIKey of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is VGOSQKKJRGUWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8OS/c34-25(13-1-2-13)29-16-7-15(9-26-10-16)19-8-18-20(11-28-19)32-33-22(18)24-30-21-17(14-4-6-35-12-14)3-5-27-23(21)31-24/h3-13H,1-2H2,(H,29,34)(H,32,33)(H,27,30,31).
What are the key properties of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 478.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137055640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).