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

C18H19FN6O — CID 163722002

IUPAC3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H19FN6O/c1-20-18(26)11-5-6-25-15(10-22-17(25)7-11)13-3-2-4-16(23-13)24-14-9-21-8-12(14)19/h2-7,10,12,14,21H,8-9H2,1H3,(H,20,26)(H,23,24)/t12-,14-/m0/s1
InChIKeyKSJNXKBKMYLRSO-JSGCOSHPSA-N
MW354.39 g/mol
LogP1.48
Rot. Bonds4

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

3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 163722002) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID163722002
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H19FN6O/c1-20-18(26)11-5-6-25-15(10-22-17(25)7-11)13-3-2-4-16(23-13)24-14-9-21-8-12(14)19/h2-7,10,12,14,21H,8-9H2,1H3,(H,20,26)(H,23,24)/t12-,14-/m0/s1
InChIKeyKSJNXKBKMYLRSO-JSGCOSHPSA-N
XLogP1.48
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide (CID 163722002) is 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide is CNC(=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]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is KSJNXKBKMYLRSO-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-20-18(26)11-5-6-25-15(10-22-17(25)7-11)13-3-2-4-16(23-13)24-14-9-21-8-12(14)19/h2-7,10,12,14,21H,8-9H2,1H3,(H,20,26)(H,23,24)/t12-,14-/m0/s1.
What are the key properties of 3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 1.48, 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]-N-methylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 163722002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).