N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

C17H18N6O2 — CID 122362919

IUPACN-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C17H18N6O2/c1-10(12-6-4-3-5-7-12)19-17(25)21-15-8-14-13(9-18-15)16(23-22-14)20-11(2)24/h3-10H,1-2H3,(H2,18,19,21,25)(H2,20,22,23,24)/t10-/m0/s1
InChIKeyPTCQVRWZMCKSJO-JTQLQIEISA-N
MW338.37 g/mol
LogP2.80
Rot. Bonds4

About N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 122362919) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID122362919
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C17H18N6O2/c1-10(12-6-4-3-5-7-12)19-17(25)21-15-8-14-13(9-18-15)16(23-22-14)20-11(2)24/h3-10H,1-2H3,(H2,18,19,21,25)(H2,20,22,23,24)/t10-/m0/s1
InChIKeyPTCQVRWZMCKSJO-JTQLQIEISA-N
XLogP2.80
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]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-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 122362919) is N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is CC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is PTCQVRWZMCKSJO-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10(12-6-4-3-5-7-12)19-17(25)21-15-8-14-13(9-18-15)16(23-22-14)20-11(2)24/h3-10H,1-2H3,(H2,18,19,21,25)(H2,20,22,23,24)/t10-/m0/s1.
What are the key properties of N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(1S)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 122362919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).