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

C34H35FN8O — CID 136619704

IUPACN-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-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([nH]4)CNC=C5c4cc(F)cc(CN5CCCC5)c4)c3c2)c1
InChIInChI=1S/C34H35FN8O/c1-20(2)9-31(44)38-26-13-24(15-36-16-26)22-5-6-29-27(14-22)33(42-41-29)34-39-30-18-37-17-28(32(30)40-34)23-10-21(11-25(35)12-23)19-43-7-3-4-8-43/h5-6,10-17,20,37H,3-4,7-9,18-19H2,1-2H3,(H,38,44)(H,39,40)(H,41,42)
InChIKeyCBZJQFATSJZMFU-UHFFFAOYSA-N
MW590.71 g/mol
LogP6.23
Rot. Bonds8

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

N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 136619704) has the molecular formula C34H35FN8O and a molecular weight of 590.71 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID136619704
Molecular FormulaC34H35FN8O
Molecular Weight590.71 g/mol
Exact Mass590.29
IUPAC NameN-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-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([nH]4)CNC=C5c4cc(F)cc(CN5CCCC5)c4)c3c2)c1
InChIInChI=1S/C34H35FN8O/c1-20(2)9-31(44)38-26-13-24(15-36-16-26)22-5-6-29-27(14-22)33(42-41-29)34-39-30-18-37-17-28(32(30)40-34)23-10-21(11-25(35)12-23)19-43-7-3-4-8-43/h5-6,10-17,20,37H,3-4,7-9,18-19H2,1-2H3,(H,38,44)(H,39,40)(H,41,42)
InChIKeyCBZJQFATSJZMFU-UHFFFAOYSA-N
XLogP6.23
TPSA114.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.71
LogP ≤ 56.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 136619704) is N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-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-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-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([nH]4)CNC=C5c4cc(F)cc(CN5CCCC5)c4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is CBZJQFATSJZMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN8O/c1-20(2)9-31(44)38-26-13-24(15-36-16-26)22-5-6-29-27(14-22)33(42-41-29)34-39-30-18-37-17-28(32(30)40-34)23-10-21(11-25(35)12-23)19-43-7-3-4-8-43/h5-6,10-17,20,37H,3-4,7-9,18-19H2,1-2H3,(H,38,44)(H,39,40)(H,41,42).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 590.71 g/mol, XLogP of 6.23, 8 rotatable bonds, 4 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]-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 136619704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).