[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C16H17FN6O — CID 176741112

IUPAC[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C16H17FN6O/c17-11-4-18-5-12(11)21-15-8-19-6-13(22-15)14-7-20-16-3-10(9-24)1-2-23(14)16/h1-3,6-8,11-12,18,24H,4-5,9H2,(H,21,22)/t11-,12-/m0/s1
InChIKeyHLIXSKMWESQJQD-RYUDHWBXSA-N
MW328.35 g/mol
LogP1.01
Rot. Bonds4

About [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 176741112) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID176741112
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C16H17FN6O/c17-11-4-18-5-12(11)21-15-8-19-6-13(22-15)14-7-20-16-3-10(9-24)1-2-23(14)16/h1-3,6-8,11-12,18,24H,4-5,9H2,(H,21,22)/t11-,12-/m0/s1
InChIKeyHLIXSKMWESQJQD-RYUDHWBXSA-N
XLogP1.01
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-amine
CID 58303378
N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 166962137
6-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 166961776
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 169129425
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 169129816
6-[7-[(Z)-2-amino-1-hydrazinylethenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 169129832
6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
CID 58303229
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-(4-phenylpyrrolidin-3-yl)pyrazin-2-amine
CID 76753363
(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol
CID 58303369
[3-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 176741120
6-imidazo[1,2-a]pyridin-3-yl-N-(4-propan-2-ylpyrrolidin-3-yl)pyrazin-2-amine
CID 76753467
4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine
CID 167449944

Frequently Asked Questions

What is the IUPAC name of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 176741112) is [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is HLIXSKMWESQJQD-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H17FN6O/c17-11-4-18-5-12(11)21-15-8-19-6-13(22-15)14-7-20-16-3-10(9-24)1-2-23(14)16/h1-3,6-8,11-12,18,24H,4-5,9H2,(H,21,22)/t11-,12-/m0/s1.
What are the key properties of [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 328.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 176741112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).