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

C22H27FN4O2 — CID 170240953

IUPAC2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3cccc(N[C@H]4CCCC[C@@H]4F)n3)cnc2cc1CO
InChIInChI=1S/C22H27FN4O2/c1-22(2,29)15-12-27-19(11-24-21(27)10-14(15)13-28)18-8-5-9-20(26-18)25-17-7-4-3-6-16(17)23/h5,8-12,16-17,28-29H,3-4,6-7,13H2,1-2H3,(H,25,26)/t16-,17-/m0/s1
InChIKeyNCWVQBDGJOKLPE-IRXDYDNUSA-N
MW398.48 g/mol
LogP3.81
Rot. Bonds5

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

2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 170240953) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID170240953
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3cccc(N[C@H]4CCCC[C@@H]4F)n3)cnc2cc1CO
InChIInChI=1S/C22H27FN4O2/c1-22(2,29)15-12-27-19(11-24-21(27)10-14(15)13-28)18-8-5-9-20(26-18)25-17-7-4-3-6-16(17)23/h5,8-12,16-17,28-29H,3-4,6-7,13H2,1-2H3,(H,25,26)/t16-,17-/m0/s1
InChIKeyNCWVQBDGJOKLPE-IRXDYDNUSA-N
XLogP3.81
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170240880
[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 170240865
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 164969843
trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol
CID 170240867
6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine
CID 170240924
N-[(1S,2S)-2-fluorocyclopentyl]-6-imidazo[1,2-a]pyridin-3-ylpyridin-2-amine
CID 170240811
3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 170240809
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]methanol
CID 165031080
[3-[6-(cyclopentylamino)-2-pyridinyl]-6-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;bis([3-[6-(cyclopentylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol)
CID 164969842
2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129789
2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961630
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]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-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 170240953) is 2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]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-fluorocyclohexyl]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-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1cn2c(-c3cccc(N[C@H]4CCCC[C@@H]4F)n3)cnc2cc1CO.
What is the InChIKey of 2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is NCWVQBDGJOKLPE-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-22(2,29)15-12-27-19(11-24-21(27)10-14(15)13-28)18-8-5-9-20(26-18)25-17-7-4-3-6-16(17)23/h5,8-12,16-17,28-29H,3-4,6-7,13H2,1-2H3,(H,25,26)/t16-,17-/m0/s1.
What are the key properties of 2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 398.48 g/mol, XLogP of 3.81, 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-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 170240953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).