N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C22H16FN7O — CID 136942705

IUPACN-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2F)c1)C1CC1
InChIInChI=1S/C22H16FN7O/c23-18-17-16(29-30-20(17)21-27-14-3-1-2-4-15(14)28-21)10-25-19(18)12-7-13(9-24-8-12)26-22(31)11-5-6-11/h1-4,7-11H,5-6H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyZIMGZSNYKIOPDC-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.05
Rot. Bonds4

About N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 136942705) has the molecular formula C22H16FN7O and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID136942705
Molecular FormulaC22H16FN7O
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC NameN-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2F)c1)C1CC1
InChIInChI=1S/C22H16FN7O/c23-18-17-16(29-30-20(17)21-27-14-3-1-2-4-15(14)28-21)10-25-19(18)12-7-13(9-24-8-12)26-22(31)11-5-6-11/h1-4,7-11H,5-6H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyZIMGZSNYKIOPDC-UHFFFAOYSA-N
XLogP4.05
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136943924
N-[5-[4-fluoro-3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136946892
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136943788
N-[5-[4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136942680
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136942864
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136943622
N-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137102188
N-[5-[4-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136946171
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136944212
N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 145035648
N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033394
N-[5-[3-(4-oxo-3H-quinazolin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 174201584

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 136942705) is N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2F)c1)C1CC1.
What is the InChIKey of N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZIMGZSNYKIOPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O/c23-18-17-16(29-30-20(17)21-27-14-3-1-2-4-15(14)28-21)10-25-19(18)12-7-13(9-24-8-12)26-22(31)11-5-6-11/h1-4,7-11H,5-6H2,(H,26,31)(H,27,28)(H,29,30).
What are the key properties of N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 413.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1H-benzimidazol-2-yl)-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 136942705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).