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

C29H24FN7O — CID 136643053

IUPACN-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C29H24FN7O/c1-16(2)9-26(38)33-21-10-19(12-31-13-21)18-5-8-24-22(11-18)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)17-3-6-20(30)7-4-17/h3-8,10-16H,9H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
InChIKeyDKSOXYPMAAISQF-UHFFFAOYSA-N
MW505.56 g/mol
LogP6.35
Rot. Bonds6

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

N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 136643053) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID136643053
Molecular FormulaC29H24FN7O
Molecular Weight505.56 g/mol
Exact Mass505.20
IUPAC NameN-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C29H24FN7O/c1-16(2)9-26(38)33-21-10-19(12-31-13-21)18-5-8-24-22(11-18)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)17-3-6-20(30)7-4-17/h3-8,10-16H,9H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
InChIKeyDKSOXYPMAAISQF-UHFFFAOYSA-N
XLogP6.35
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 136643053) is N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is DKSOXYPMAAISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c1-16(2)9-26(38)33-21-10-19(12-31-13-21)18-5-8-24-22(11-18)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)17-3-6-20(30)7-4-17/h3-8,10-16H,9H2,1-2H3,(H,33,38)(H,34,35)(H,36,37).
What are the key properties of N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 505.56 g/mol, XLogP of 6.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 136643053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).