N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide

C29H26ClN5O — CID 25093264

IUPACN-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
InChIInChI=1S/C29H26ClN5O/c1-18(21-9-5-4-6-10-21)32-29-16-28-26(17-31-29)19(2)34-35(28)24-14-22(13-23(30)15-24)25-11-7-8-12-27(25)33-20(3)36/h4-18H,1-3H3,(H,31,32)(H,33,36)/t18-/m0/s1
InChIKeyQUYZXRAAIRZUEE-SFHVURJKSA-N
MW496.01 g/mol
LogP7.18
Rot. Bonds6

About N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide

N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide (PubChem CID 25093264) has the molecular formula C29H26ClN5O and a molecular weight of 496.01 g/mol. Its IUPAC name is N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide
PubChem CID25093264
Molecular FormulaC29H26ClN5O
Molecular Weight496.01 g/mol
Exact Mass495.18
IUPAC NameN-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1
InChIInChI=1S/C29H26ClN5O/c1-18(21-9-5-4-6-10-21)32-29-16-28-26(17-31-29)19(2)34-35(28)24-14-22(13-23(30)15-24)25-11-7-8-12-27(25)33-20(3)36/h4-18H,1-3H3,(H,31,32)(H,33,36)/t18-/m0/s1
InChIKeyQUYZXRAAIRZUEE-SFHVURJKSA-N
XLogP7.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide 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-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide (CID 25093264) is N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1.
What is the InChIKey of N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide?
The InChIKey is QUYZXRAAIRZUEE-SFHVURJKSA-N. The full InChI is InChI=1S/C29H26ClN5O/c1-18(21-9-5-4-6-10-21)32-29-16-28-26(17-31-29)19(2)34-35(28)24-14-22(13-23(30)15-24)25-11-7-8-12-27(25)33-20(3)36/h4-18H,1-3H3,(H,31,32)(H,33,36)/t18-/m0/s1.
What are the key properties of N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide?
N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide has a molecular weight of 496.01 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 25093264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).