3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C14H17FN4O — CID 99939542

IUPAC3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CC[C@H](N(C)C(=O)c2nc3ccccn3c2F)C1
InChIInChI=1S/C14H17FN4O/c1-17-8-6-10(9-17)18(2)14(20)12-13(15)19-7-4-3-5-11(19)16-12/h3-5,7,10H,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyRLDCSWZBRSAKSM-JTQLQIEISA-N
MW276.31 g/mol
LogP1.25
Rot. Bonds2

About 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 99939542) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID99939542
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN1CC[C@H](N(C)C(=O)c2nc3ccccn3c2F)C1
InChIInChI=1S/C14H17FN4O/c1-17-8-6-10(9-17)18(2)14(20)12-13(15)19-7-4-3-5-11(19)16-12/h3-5,7,10H,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyRLDCSWZBRSAKSM-JTQLQIEISA-N
XLogP1.25
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 99939542) is 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is CN1CC[C@H](N(C)C(=O)c2nc3ccccn3c2F)C1.
What is the InChIKey of 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RLDCSWZBRSAKSM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN4O/c1-17-8-6-10(9-17)18(2)14(20)12-13(15)19-7-4-3-5-11(19)16-12/h3-5,7,10H,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 99939542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).