N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide

C31H27FN8O — CID 136643176

IUPACN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C31H27FN8O/c1-40-9-7-18(8-10-40)31(41)35-23-12-21(14-33-15-23)19-5-6-26-24(13-19)29(39-38-26)30-36-27-17-34-16-25(28(27)37-30)20-3-2-4-22(32)11-20/h2-6,11-18H,7-10H2,1H3,(H,35,41)(H,36,37)(H,38,39)
InChIKeyHKMSPAUZHAKJSV-UHFFFAOYSA-N
MW546.61 g/mol
LogP5.65
Rot. Bonds5

About N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide

N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide (PubChem CID 136643176) has the molecular formula C31H27FN8O and a molecular weight of 546.61 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
PubChem CID136643176
Molecular FormulaC31H27FN8O
Molecular Weight546.61 g/mol
Exact Mass546.23
IUPAC NameN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C31H27FN8O/c1-40-9-7-18(8-10-40)31(41)35-23-12-21(14-33-15-23)19-5-6-26-24(13-19)29(39-38-26)30-36-27-17-34-16-25(28(27)37-30)20-3-2-4-22(32)11-20/h2-6,11-18H,7-10H2,1H3,(H,35,41)(H,36,37)(H,38,39)
InChIKeyHKMSPAUZHAKJSV-UHFFFAOYSA-N
XLogP5.65
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.61
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide (CID 136643176) is N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7cccc(F)c7)cncc6[nH]5)c4c3)c2)CC1.
What is the InChIKey of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is HKMSPAUZHAKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN8O/c1-40-9-7-18(8-10-40)31(41)35-23-12-21(14-33-15-23)19-5-6-26-24(13-19)29(39-38-26)30-36-27-17-34-16-25(28(27)37-30)20-3-2-4-22(32)11-20/h2-6,11-18H,7-10H2,1H3,(H,35,41)(H,36,37)(H,38,39).
What are the key properties of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 546.61 g/mol, XLogP of 5.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 136643176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).