(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

C17H27N3O3 — CID 95299802

IUPAC(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@@H]1CCCO1)CN1CCc2c(ncn2C2CC2)C1
InChIInChI=1S/C17H27N3O3/c21-14(10-22-11-15-2-1-7-23-15)8-19-6-5-17-16(9-19)18-12-20(17)13-3-4-13/h12-15,21H,1-11H2/t14-,15-/m0/s1
InChIKeyBLRSYOTTXZVFMT-GJZGRUSLSA-N
MW321.42 g/mol
LogP1.13
Rot. Bonds7

About (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 95299802) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID95299802
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@@H]1CCCO1)CN1CCc2c(ncn2C2CC2)C1
InChIInChI=1S/C17H27N3O3/c21-14(10-22-11-15-2-1-7-23-15)8-19-6-5-17-16(9-19)18-12-20(17)13-3-4-13/h12-15,21H,1-11H2/t14-,15-/m0/s1
InChIKeyBLRSYOTTXZVFMT-GJZGRUSLSA-N
XLogP1.13
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-2-ol
CID 95758616
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95610494
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
1-[(3R,5S)-3,5-dimethylazepan-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 146138021
1-(oxolan-2-ylmethoxy)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 47035028
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95156770
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol (CID 95299802) is (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol is O[C@H](COC[C@@H]1CCCO1)CN1CCc2c(ncn2C2CC2)C1.
What is the InChIKey of (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is BLRSYOTTXZVFMT-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-14(10-22-11-15-2-1-7-23-15)8-19-6-5-17-16(9-19)18-12-20(17)13-3-4-13/h12-15,21H,1-11H2/t14-,15-/m0/s1.
What are the key properties of (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
(2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 321.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 95299802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).