2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

C30H21N7O — CID 136936838

IUPAC2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(COc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccccn7)nccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C30H21N7O/c1-2-6-19(7-3-1)18-38-22-14-21(16-31-17-22)20-9-10-24-23(15-20)27(37-36-24)30-34-26-11-13-33-28(29(26)35-30)25-8-4-5-12-32-25/h1-17H,18H2,(H,34,35)(H,36,37)
InChIKeyKVZSTKAYNPJPAB-UHFFFAOYSA-N
MW495.55 g/mol
LogP6.20
Rot. Bonds6

About 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136936838) has the molecular formula C30H21N7O and a molecular weight of 495.55 g/mol. Its IUPAC name is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136936838
Molecular FormulaC30H21N7O
Molecular Weight495.55 g/mol
Exact Mass495.18
IUPAC Name2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(COc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccccn7)nccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C30H21N7O/c1-2-6-19(7-3-1)18-38-22-14-21(16-31-17-22)20-9-10-24-23(15-20)27(37-36-24)30-34-26-11-13-33-28(29(26)35-30)25-8-4-5-12-32-25/h1-17H,18H2,(H,34,35)(H,36,37)
InChIKeyKVZSTKAYNPJPAB-UHFFFAOYSA-N
XLogP6.20
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 137019479
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine
CID 136947237
3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137088447
4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 145033954
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114123
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137019318
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137019421
4-(3-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 137019261
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
N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136937185
4-(furan-3-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936923
4-(5-methylthiophen-2-yl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936980

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (CID 136936838) is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccccn7)nccc6[nH]5)c4c3)c2)cc1.
What is the InChIKey of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is KVZSTKAYNPJPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N7O/c1-2-6-19(7-3-1)18-38-22-14-21(16-31-17-22)20-9-10-24-23(15-20)27(37-36-24)30-34-26-11-13-33-28(29(26)35-30)25-8-4-5-12-32-25/h1-17H,18H2,(H,34,35)(H,36,37).
What are the key properties of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 495.55 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).