N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C30H27N7S — CID 145033070

IUPACN-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESC=C(CCC)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(C(=C)C)s6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C30H27N7S/c1-5-7-18(4)33-20-12-19(14-31-15-20)24-13-22-25(16-32-24)36-37-29(22)30-34-23-9-6-8-21(28(23)35-30)27-11-10-26(38-27)17(2)3/h6,8-16,33H,2,4-5,7H2,1,3H3,(H,34,35)(H,36,37)
InChIKeyHXYDROHUEHBMKP-UHFFFAOYSA-N
MW517.66 g/mol
LogP8.05
Rot. Bonds8

About N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 145033070) has the molecular formula C30H27N7S and a molecular weight of 517.66 g/mol. Its IUPAC name is N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
PubChem CID145033070
Molecular FormulaC30H27N7S
Molecular Weight517.66 g/mol
Exact Mass517.20
IUPAC NameN-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESC=C(CCC)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(C(=C)C)s6)cccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C30H27N7S/c1-5-7-18(4)33-20-12-19(14-31-15-20)24-13-22-25(16-32-24)36-37-29(22)30-34-23-9-6-8-21(28(23)35-30)27-11-10-26(38-27)17(2)3/h6,8-16,33H,2,4-5,7H2,1,3H3,(H,34,35)(H,36,37)
InChIKeyHXYDROHUEHBMKP-UHFFFAOYSA-N
XLogP8.05
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.66
LogP ≤ 58.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine with MolForge

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Related Compounds

N-propan-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145032842
5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033223
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137055090
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136942419
N-pent-1-en-2-yl-5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145037475
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035345
1-[5-[2-[5-[5-[(1-hydroxy-3-methylbutyl)amino]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 137291823
1-[5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136943159
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033075
N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145034544
N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137057343
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136942379

Frequently Asked Questions

What is the IUPAC name of N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 145033070) is N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is C=C(CCC)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(C(=C)C)s6)cccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The InChIKey is HXYDROHUEHBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7S/c1-5-7-18(4)33-20-12-19(14-31-15-20)24-13-22-25(16-32-24)36-37-29(22)30-34-23-9-6-8-21(28(23)35-30)27-11-10-26(38-27)17(2)3/h6,8-16,33H,2,4-5,7H2,1,3H3,(H,34,35)(H,36,37).
What are the key properties of N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 517.66 g/mol, XLogP of 8.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145033070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).