3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide

C17H17FN6O — CID 163991946

IUPAC3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C17H17FN6O/c18-11-7-20-8-13(11)23-15-3-1-2-12(22-15)14-9-21-16-6-10(17(19)25)4-5-24(14)16/h1-6,9,11,13,20H,7-8H2,(H2,19,25)(H,22,23)/t11-,13-/m0/s1
InChIKeyUBKAKYFRDGQVJG-AAEUAGOBSA-N
MW340.36 g/mol
LogP1.22
Rot. Bonds4

About 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide

3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 163991946) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID163991946
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C17H17FN6O/c18-11-7-20-8-13(11)23-15-3-1-2-12(22-15)14-9-21-16-6-10(17(19)25)4-5-24(14)16/h1-6,9,11,13,20H,7-8H2,(H2,19,25)(H,22,23)/t11-,13-/m0/s1
InChIKeyUBKAKYFRDGQVJG-AAEUAGOBSA-N
XLogP1.22
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide 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 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 163991946) is 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide is NC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is UBKAKYFRDGQVJG-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H17FN6O/c18-11-7-20-8-13(11)23-15-3-1-2-12(22-15)14-9-21-16-6-10(17(19)25)4-5-24(14)16/h1-6,9,11,13,20H,7-8H2,(H2,19,25)(H,22,23)/t11-,13-/m0/s1.
What are the key properties of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 163991946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).