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

C34H33FN8O2 — CID 136643229

IUPACN-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]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(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C34H33FN8O2/c1-19(2)34(45)38-25-12-23(14-36-15-25)21-3-4-29-27(13-21)32(42-41-29)33-39-30-17-37-16-28(31(30)40-33)22-9-20(10-24(35)11-22)18-43-7-5-26(44)6-8-43/h3-4,9-17,19,26,44H,5-8,18H2,1-2H3,(H,38,45)(H,39,40)(H,41,42)
InChIKeyUMJBLCFACSSXQQ-UHFFFAOYSA-N
MW604.69 g/mol
LogP5.92
Rot. Bonds7

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

N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 136643229) has the molecular formula C34H33FN8O2 and a molecular weight of 604.69 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID136643229
Molecular FormulaC34H33FN8O2
Molecular Weight604.69 g/mol
Exact Mass604.27
IUPAC NameN-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]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(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C34H33FN8O2/c1-19(2)34(45)38-25-12-23(14-36-15-25)21-3-4-29-27(13-21)32(42-41-29)33-39-30-17-37-16-28(31(30)40-33)22-9-20(10-24(35)11-22)18-43-7-5-26(44)6-8-43/h3-4,9-17,19,26,44H,5-8,18H2,1-2H3,(H,38,45)(H,39,40)(H,41,42)
InChIKeyUMJBLCFACSSXQQ-UHFFFAOYSA-N
XLogP5.92
TPSA135.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.69
LogP ≤ 55.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]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-[(4-hydroxypiperidin-1-yl)methyl]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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 136643229) is N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]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-[(4-hydroxypiperidin-1-yl)methyl]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-[(4-hydroxypiperidin-1-yl)methyl]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(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is UMJBLCFACSSXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O2/c1-19(2)34(45)38-25-12-23(14-36-15-25)21-3-4-29-27(13-21)32(42-41-29)33-39-30-17-37-16-28(31(30)40-33)22-9-20(10-24(35)11-22)18-43-7-5-26(44)6-8-43/h3-4,9-17,19,26,44H,5-8,18H2,1-2H3,(H,38,45)(H,39,40)(H,41,42).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 604.69 g/mol, XLogP of 5.92, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 136643229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).