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]propanamide

C33H31FN8O2 — CID 136643228

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]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C33H31FN8O2/c1-2-30(44)37-24-12-22(14-35-15-24)20-3-4-28-26(13-20)32(41-40-28)33-38-29-17-36-16-27(31(29)39-33)21-9-19(10-23(34)11-21)18-42-7-5-25(43)6-8-42/h3-4,9-17,25,43H,2,5-8,18H2,1H3,(H,37,44)(H,38,39)(H,40,41)
InChIKeyADLPWXMLQIKORE-UHFFFAOYSA-N
MW590.66 g/mol
LogP5.67
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]propanamide

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]propanamide (PubChem CID 136643228) has the molecular formula C33H31FN8O2 and a molecular weight of 590.66 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]propanamide.

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]propanamide
PubChem CID136643228
Molecular FormulaC33H31FN8O2
Molecular Weight590.66 g/mol
Exact Mass590.26
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]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C33H31FN8O2/c1-2-30(44)37-24-12-22(14-35-15-24)20-3-4-28-26(13-20)32(41-40-28)33-38-29-17-36-16-27(31(29)39-33)21-9-19(10-23(34)11-21)18-42-7-5-25(43)6-8-42/h3-4,9-17,25,43H,2,5-8,18H2,1H3,(H,37,44)(H,38,39)(H,40,41)
InChIKeyADLPWXMLQIKORE-UHFFFAOYSA-N
XLogP5.67
TPSA135.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.66
LogP ≤ 55.67
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]propanamide 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]propanamide?
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]propanamide (CID 136643228) 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]propanamide.
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]propanamide?
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]propanamide is CCC(=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]propanamide?
The InChIKey is ADLPWXMLQIKORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN8O2/c1-2-30(44)37-24-12-22(14-35-15-24)20-3-4-28-26(13-20)32(41-40-28)33-38-29-17-36-16-27(31(29)39-33)21-9-19(10-23(34)11-21)18-42-7-5-25(43)6-8-42/h3-4,9-17,25,43H,2,5-8,18H2,1H3,(H,37,44)(H,38,39)(H,40,41).
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]propanamide?
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]propanamide has a molecular weight of 590.66 g/mol, XLogP of 5.67, 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]propanamide is sourced from PubChem (CID 136643228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).