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

C20H22FN5O — CID 169074480

IUPAC[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1
InChIInChI=1S/C20H22FN5O/c21-15-7-22-8-17(15)25-19-3-1-2-16(24-19)18-9-23-20-6-13(11-27)14(10-26(18)20)12-4-5-12/h1-3,6,9-10,12,15,17,22,27H,4-5,7-8,11H2,(H,24,25)/t15-,17-/m0/s1
InChIKeyWMZGRDMNDXPHMF-RDJZCZTQSA-N
MW367.43 g/mol
LogP2.49
Rot. Bonds5

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

[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 169074480) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID169074480
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1
InChIInChI=1S/C20H22FN5O/c21-15-7-22-8-17(15)25-19-3-1-2-16(24-19)18-9-23-20-6-13(11-27)14(10-26(18)20)12-4-5-12/h1-3,6,9-10,12,15,17,22,27H,4-5,7-8,11H2,(H,24,25)/t15-,17-/m0/s1
InChIKeyWMZGRDMNDXPHMF-RDJZCZTQSA-N
XLogP2.49
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 169074480) is [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1.
What is the InChIKey of [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is WMZGRDMNDXPHMF-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-15-7-22-8-17(15)25-19-3-1-2-16(24-19)18-9-23-20-6-13(11-27)14(10-26(18)20)12-4-5-12/h1-3,6,9-10,12,15,17,22,27H,4-5,7-8,11H2,(H,24,25)/t15-,17-/m0/s1.
What are the key properties of [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol?
[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 367.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 169074480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).