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

C26H21ClN8OS — CID 137110190

IUPACN-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C26H21ClN8OS/c1-13(2)7-22(36)30-15-8-14(9-28-10-15)17-3-4-18-24(31-17)25(35-34-18)26-32-19-12-29-11-16(23(19)33-26)20-5-6-21(27)37-20/h3-6,8-13H,7H2,1-2H3,(H,30,36)(H,32,33)(H,34,35)
InChIKeyGDBGCRNMYFVJMH-UHFFFAOYSA-N
MW529.03 g/mol
LogP6.32
Rot. Bonds6

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

N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 137110190) has the molecular formula C26H21ClN8OS and a molecular weight of 529.03 g/mol. Its IUPAC name is N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID137110190
Molecular FormulaC26H21ClN8OS
Molecular Weight529.03 g/mol
Exact Mass528.12
IUPAC NameN-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C26H21ClN8OS/c1-13(2)7-22(36)30-15-8-14(9-28-10-15)17-3-4-18-24(31-17)25(35-34-18)26-32-19-12-29-11-16(23(19)33-26)20-5-6-21(27)37-20/h3-6,8-13H,7H2,1-2H3,(H,30,36)(H,32,33)(H,34,35)
InChIKeyGDBGCRNMYFVJMH-UHFFFAOYSA-N
XLogP6.32
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.03
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 137110190) is N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1.
What is the InChIKey of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is GDBGCRNMYFVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN8OS/c1-13(2)7-22(36)30-15-8-14(9-28-10-15)17-3-4-18-24(31-17)25(35-34-18)26-32-19-12-29-11-16(23(19)33-26)20-5-6-21(27)37-20/h3-6,8-13H,7H2,1-2H3,(H,30,36)(H,32,33)(H,34,35).
What are the key properties of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 529.03 g/mol, XLogP of 6.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 137110190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).