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

C33H31FN8O — CID 136643225

IUPACN-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCCC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C33H31FN8O/c1-2-30(43)37-25-13-23(15-35-16-25)21-6-7-28-26(14-21)32(41-40-28)33-38-29-18-36-17-27(31(29)39-33)22-10-20(11-24(34)12-22)19-42-8-4-3-5-9-42/h6-7,10-18H,2-5,8-9,19H2,1H3,(H,37,43)(H,38,39)(H,40,41)
InChIKeyOKWHVPRGIGRUOR-UHFFFAOYSA-N
MW574.66 g/mol
LogP6.70
Rot. Bonds7

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

N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 136643225) 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-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID136643225
Molecular FormulaC33H31FN8O
Molecular Weight574.66 g/mol
Exact Mass574.26
IUPAC NameN-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCCC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C33H31FN8O/c1-2-30(43)37-25-13-23(15-35-16-25)21-6-7-28-26(14-21)32(41-40-28)33-38-29-18-36-17-27(31(29)39-33)22-10-20(11-24(34)12-22)19-42-8-4-3-5-9-42/h6-7,10-18H,2-5,8-9,19H2,1H3,(H,37,43)(H,38,39)(H,40,41)
InChIKeyOKWHVPRGIGRUOR-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 136643225) is N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCCC7)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is OKWHVPRGIGRUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN8O/c1-2-30(43)37-25-13-23(15-35-16-25)21-6-7-28-26(14-21)32(41-40-28)33-38-29-18-36-17-27(31(29)39-33)22-10-20(11-24(34)12-22)19-42-8-4-3-5-9-42/h6-7,10-18H,2-5,8-9,19H2,1H3,(H,37,43)(H,38,39)(H,40,41).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 574.66 g/mol, XLogP of 6.70, 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-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 136643225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).