4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C30H26FN7O — CID 136937197

IUPAC4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7O/c1-17-10-19(12-21(31)11-17)27-29-26(6-9-34-27)35-30(36-29)28-24-14-18(2-3-25(24)37-38-28)20-13-23(16-33-15-20)39-22-4-7-32-8-5-22/h2-3,6,9-16,22,32H,4-5,7-8H2,1H3,(H,35,36)(H,37,38)
InChIKeyNHZRKDMLBNDNPL-UHFFFAOYSA-N
MW519.58 g/mol
LogP5.81
Rot. Bonds5

About 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136937197) has the molecular formula C30H26FN7O and a molecular weight of 519.58 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136937197
Molecular FormulaC30H26FN7O
Molecular Weight519.58 g/mol
Exact Mass519.22
IUPAC Name4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7O/c1-17-10-19(12-21(31)11-17)27-29-26(6-9-34-27)35-30(36-29)28-24-14-18(2-3-25(24)37-38-28)20-13-23(16-33-15-20)39-22-4-7-32-8-5-22/h2-3,6,9-16,22,32H,4-5,7-8H2,1H3,(H,35,36)(H,37,38)
InChIKeyNHZRKDMLBNDNPL-UHFFFAOYSA-N
XLogP5.81
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
3-[(1r)-1-[5-Fluoranyl-2-(1,2,3-Triazol-2-Yl)phenyl]ethoxy]-5-(3-Methyl-1h-Pyrazol-4-Yl)pyridin-2-Amine
CID 67462112
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dimethyl-6-piperidin-4-yl-9H-carbazole
CID 156213234
4-N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidine-2,4-diamine
CID 10238471
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
(S)-1-(1H-indol-3-yl)-3-(5-(3-morpholino-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10238690
(S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11611566
N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222969
6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
3-(1H-indol-3-ylmethyl)-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57407325
US11014929, Example 11
CID 134326327
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136937197) is 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Cc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is NHZRKDMLBNDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O/c1-17-10-19(12-21(31)11-17)27-29-26(6-9-34-27)35-30(36-29)28-24-14-18(2-3-25(24)37-38-28)20-13-23(16-33-15-20)39-22-4-7-32-8-5-22/h2-3,6,9-16,22,32H,4-5,7-8H2,1H3,(H,35,36)(H,37,38).
What are the key properties of 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 519.58 g/mol, XLogP of 5.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136937197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).