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

C21H25FN4O2 — CID 170240880

IUPAC2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3cccc(N[C@H]4CCC[C@@H]4F)n3)cnc2cc1CO
InChIInChI=1S/C21H25FN4O2/c1-21(2,28)14-11-26-18(10-23-20(26)9-13(14)12-27)17-7-4-8-19(25-17)24-16-6-3-5-15(16)22/h4,7-11,15-16,27-28H,3,5-6,12H2,1-2H3,(H,24,25)/t15-,16-/m0/s1
InChIKeyNGSDELUDPBSHPV-HOTGVXAUSA-N
MW384.46 g/mol
LogP3.42
Rot. Bonds5

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

2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 170240880) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID170240880
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3cccc(N[C@H]4CCC[C@@H]4F)n3)cnc2cc1CO
InChIInChI=1S/C21H25FN4O2/c1-21(2,28)14-11-26-18(10-23-20(26)9-13(14)12-27)17-7-4-8-19(25-17)24-16-6-3-5-15(16)22/h4,7-11,15-16,27-28H,3,5-6,12H2,1-2H3,(H,24,25)/t15-,16-/m0/s1
InChIKeyNGSDELUDPBSHPV-HOTGVXAUSA-N
XLogP3.42
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 170240880) is 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1cn2c(-c3cccc(N[C@H]4CCC[C@@H]4F)n3)cnc2cc1CO.
What is the InChIKey of 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is NGSDELUDPBSHPV-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-21(2,28)14-11-26-18(10-23-20(26)9-13(14)12-27)17-7-4-8-19(25-17)24-16-6-3-5-15(16)22/h4,7-11,15-16,27-28H,3,5-6,12H2,1-2H3,(H,24,25)/t15-,16-/m0/s1.
What are the key properties of 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 384.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 170240880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).