N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C33H31FN8O — CID 136643223

IUPACN-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C33H31FN8O/c1-19(2)33(43)37-25-12-23(14-35-15-25)21-5-6-28-26(13-21)31(41-40-28)32-38-29-17-36-16-27(30(29)39-32)22-9-20(10-24(34)11-22)18-42-7-3-4-8-42/h5-6,9-17,19H,3-4,7-8,18H2,1-2H3,(H,37,43)(H,38,39)(H,40,41)
InChIKeyDLVQCDOATODSFU-UHFFFAOYSA-N
MW574.66 g/mol
LogP6.56
Rot. Bonds7

About N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 136643223) has the molecular formula C33H31FN8O and a molecular weight of 574.66 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID136643223
Molecular FormulaC33H31FN8O
Molecular Weight574.66 g/mol
Exact Mass574.26
IUPAC NameN-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C33H31FN8O/c1-19(2)33(43)37-25-12-23(14-35-15-25)21-5-6-28-26(13-21)31(41-40-28)32-38-29-17-36-16-27(30(29)39-32)22-9-20(10-24(34)11-22)18-42-7-3-4-8-42/h5-6,9-17,19H,3-4,7-8,18H2,1-2H3,(H,37,43)(H,38,39)(H,40,41)
InChIKeyDLVQCDOATODSFU-UHFFFAOYSA-N
XLogP6.56
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 136643223) is N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCC7)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is DLVQCDOATODSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN8O/c1-19(2)33(43)37-25-12-23(14-35-15-25)21-5-6-28-26(13-21)31(41-40-28)32-38-29-17-36-16-27(30(29)39-32)22-9-20(10-24(34)11-22)18-42-7-3-4-8-42/h5-6,9-17,19H,3-4,7-8,18H2,1-2H3,(H,37,43)(H,38,39)(H,40,41).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 574.66 g/mol, XLogP of 6.56, 7 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-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 136643223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).