[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol

C22H25FN4O — CID 170240865

IUPAC[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC1(c2cn3c(-c4cccc(N[C@H]5CCC[C@@H]5F)n4)cnc3cc2CO)CC1
InChIInChI=1S/C22H25FN4O/c1-22(8-9-22)15-12-27-19(11-24-21(27)10-14(15)13-28)18-6-3-7-20(26-18)25-17-5-2-4-16(17)23/h3,6-7,10-12,16-17,28H,2,4-5,8-9,13H2,1H3,(H,25,26)/t16-,17-/m0/s1
InChIKeyYYXABWKNNTVITM-IRXDYDNUSA-N
MW380.47 g/mol
LogP4.24
Rot. Bonds5

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

[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 170240865) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID170240865
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC1(c2cn3c(-c4cccc(N[C@H]5CCC[C@@H]5F)n4)cnc3cc2CO)CC1
InChIInChI=1S/C22H25FN4O/c1-22(8-9-22)15-12-27-19(11-24-21(27)10-14(15)13-28)18-6-3-7-20(26-18)25-17-5-2-4-16(17)23/h3,6-7,10-12,16-17,28H,2,4-5,8-9,13H2,1H3,(H,25,26)/t16-,17-/m0/s1
InChIKeyYYXABWKNNTVITM-IRXDYDNUSA-N
XLogP4.24
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170240880
2-[3-[6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170240953
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-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 164969843
6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine
CID 170240924
[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
N-(2,2-dimethylcyclohexyl)-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170241002
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S,2S)-2-methylcyclopentyl]pyridin-2-amine
CID 170240897
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(6-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170240945

Frequently Asked Questions

What is the IUPAC name of [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol (CID 170240865) is [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol is CC1(c2cn3c(-c4cccc(N[C@H]5CCC[C@@H]5F)n4)cnc3cc2CO)CC1.
What is the InChIKey of [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is YYXABWKNNTVITM-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-22(8-9-22)15-12-27-19(11-24-21(27)10-14(15)13-28)18-6-3-7-20(26-18)25-17-5-2-4-16(17)23/h3,6-7,10-12,16-17,28H,2,4-5,8-9,13H2,1H3,(H,25,26)/t16-,17-/m0/s1.
What are the key properties of [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 380.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 170240865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).