[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C20H22N6O — CID 110143448

IUPAC[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3C[C@@H]4CC[C@@H](Nc5cnccn5)[C@@H]4C3)nc2c1
InChIInChI=1S/C20H22N6O/c1-13-4-7-25-12-17(24-19(25)8-13)20(27)26-10-14-2-3-16(15(14)11-26)23-18-9-21-5-6-22-18/h4-9,12,14-16H,2-3,10-11H2,1H3,(H,22,23)/t14-,15+,16+/m0/s1
InChIKeyNYINKCVQRDCISU-ARFHVFGLSA-N
MW362.44 g/mol
LogP2.40
Rot. Bonds3

About [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 110143448) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID110143448
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2cc(C(=O)N3C[C@@H]4CC[C@@H](Nc5cnccn5)[C@@H]4C3)nc2c1
InChIInChI=1S/C20H22N6O/c1-13-4-7-25-12-17(24-19(25)8-13)20(27)26-10-14-2-3-16(15(14)11-26)23-18-9-21-5-6-22-18/h4-9,12,14-16H,2-3,10-11H2,1H3,(H,22,23)/t14-,15+,16+/m0/s1
InChIKeyNYINKCVQRDCISU-ARFHVFGLSA-N
XLogP2.40
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone with MolForge

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Related Compounds

[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 110138959
1-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 110138973
1-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-methoxyphenyl)ethanone
CID 110138939
1-[4-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]piperidin-1-yl]ethanone
CID 155986841
1-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-thiophen-2-ylpropan-1-one
CID 110138983
7-methyl-N-(4-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51250537
1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one
CID 110143461
1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 28685413
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124963764
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
8-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667416

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 110143448) is [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccn2cc(C(=O)N3C[C@@H]4CC[C@@H](Nc5cnccn5)[C@@H]4C3)nc2c1.
What is the InChIKey of [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is NYINKCVQRDCISU-ARFHVFGLSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-4-7-25-12-17(24-19(25)8-13)20(27)26-10-14-2-3-16(15(14)11-26)23-18-9-21-5-6-22-18/h4-9,12,14-16H,2-3,10-11H2,1H3,(H,22,23)/t14-,15+,16+/m0/s1.
What are the key properties of [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 110143448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).