N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C27H21FN8 — CID 137088452

IUPACN-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESC=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C27H21FN8/c1-3-15(2)31-19-12-17(13-29-14-19)20-7-8-22-25(32-20)26(36-35-22)27-33-21-9-10-30-23(24(21)34-27)16-5-4-6-18(28)11-16/h4-14,31H,2-3H2,1H3,(H,33,34)(H,35,36)
InChIKeyTVABAJCXJFTBKW-UHFFFAOYSA-N
MW476.52 g/mol
LogP6.10
Rot. Bonds6

About N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137088452) has the molecular formula C27H21FN8 and a molecular weight of 476.52 g/mol. Its IUPAC name is N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID137088452
Molecular FormulaC27H21FN8
Molecular Weight476.52 g/mol
Exact Mass476.19
IUPAC NameN-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESC=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C27H21FN8/c1-3-15(2)31-19-12-17(13-29-14-19)20-7-8-22-25(32-20)26(36-35-22)27-33-21-9-10-30-23(24(21)34-27)16-5-4-6-18(28)11-16/h4-14,31H,2-3H2,1H3,(H,33,34)(H,35,36)
InChIKeyTVABAJCXJFTBKW-UHFFFAOYSA-N
XLogP6.10
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine with MolForge

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Related Compounds

2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137088287
N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145034759
N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039213
N-(1-cyclopropylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033878
N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088762
N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137019311
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136936348
3-methyl-N-[5-[3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137308902
N-(3-phenylprop-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145245179
2-methyl-N-[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137088454
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137038872
N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145244745

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137088452) is N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1.
What is the InChIKey of N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is TVABAJCXJFTBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8/c1-3-15(2)31-19-12-17(13-29-14-19)20-7-8-22-25(32-20)26(36-35-22)27-33-21-9-10-30-23(24(21)34-27)16-5-4-6-18(28)11-16/h4-14,31H,2-3H2,1H3,(H,33,34)(H,35,36).
What are the key properties of N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 476.52 g/mol, XLogP of 6.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137088452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).