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

C20H24FN5O2 — CID 169074527

IUPAC2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cc1CO
InChIInChI=1S/C20H24FN5O2/c1-20(2,28)13-10-26-17(9-23-19(26)6-12(13)11-27)15-4-3-5-18(24-15)25-16-8-22-7-14(16)21/h3-6,9-10,14,16,22,27-28H,7-8,11H2,1-2H3,(H,24,25)/t14-,16-/m0/s1
InChIKeyVMZCRJAQNNOYPK-HOCLYGCPSA-N
MW385.44 g/mol
LogP1.84
Rot. Bonds5

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

2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 169074527) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID169074527
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cc1CO
InChIInChI=1S/C20H24FN5O2/c1-20(2,28)13-10-26-17(9-23-19(26)6-12(13)11-27)15-4-3-5-18(24-15)25-16-8-22-7-14(16)21/h3-6,9-10,14,16,22,27-28H,7-8,11H2,1-2H3,(H,24,25)/t14-,16-/m0/s1
InChIKeyVMZCRJAQNNOYPK-HOCLYGCPSA-N
XLogP1.84
TPSA94.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 169074527) is 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cc1CO.
What is the InChIKey of 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is VMZCRJAQNNOYPK-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-20(2,28)13-10-26-17(9-23-19(26)6-12(13)11-27)15-4-3-5-18(24-15)25-16-8-22-7-14(16)21/h3-6,9-10,14,16,22,27-28H,7-8,11H2,1-2H3,(H,24,25)/t14-,16-/m0/s1.
What are the key properties of 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 385.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 169074527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).