(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol

C18H22N6O2 — CID 58303369

IUPAC(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol
SMILESC[C@@H](CO)Oc1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1
InChIInChI=1S/C18H22N6O2/c1-12(11-25)26-14-3-5-24-16(9-21-18(24)6-14)15-8-20-10-17(23-15)22-13-2-4-19-7-13/h3,5-6,8-10,12-13,19,25H,2,4,7,11H2,1H3,(H,22,23)/t12-,13+/m0/s1
InChIKeyPREYYBJDKSJGBK-QWHCGFSZSA-N
MW354.41 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol

(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol (PubChem CID 58303369) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol
PubChem CID58303369
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol
SMILESC[C@@H](CO)Oc1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1
InChIInChI=1S/C18H22N6O2/c1-12(11-25)26-14-3-5-24-16(9-21-18(24)6-14)15-8-20-10-17(23-15)22-13-2-4-19-7-13/h3,5-6,8-10,12-13,19,25H,2,4,7,11H2,1H3,(H,22,23)/t12-,13+/m0/s1
InChIKeyPREYYBJDKSJGBK-QWHCGFSZSA-N
XLogP1.32
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyrazin-2-amine;ethane
CID 167450064
N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 166962137
6-[7-(3,3-dimethylbutoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
CID 58303406
5-fluoro-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-pyrrolidin-3-ylpyridin-2-amine
CID 169129906
6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
CID 58303229
N-pyrrolidin-3-yl-6-[7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 166961993
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
CID 166961592
[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 176741112
N-cyclohexyl-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 58303580
N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 58303407
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-(4-phenylpyrrolidin-3-yl)pyrazin-2-amine
CID 76753363
N-piperidin-4-yl-6-(7-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 166671761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol?
The IUPAC name of (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol (CID 58303369) is (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol.
What is the SMILES notation for (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol?
The canonical SMILES for (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol is C[C@@H](CO)Oc1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1.
What is the InChIKey of (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol?
The InChIKey is PREYYBJDKSJGBK-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-12(11-25)26-14-3-5-24-16(9-21-18(24)6-14)15-8-20-10-17(23-15)22-13-2-4-19-7-13/h3,5-6,8-10,12-13,19,25H,2,4,7,11H2,1H3,(H,22,23)/t12-,13+/m0/s1.
What are the key properties of (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol?
(2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol has a molecular weight of 354.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridin-7-yl]oxypropan-1-ol is sourced from PubChem (CID 58303369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).