[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone

C21H23N5O — CID 131696950

IUPAC[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1c(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc2ccccn12
InChIInChI=1S/C21H23N5O/c1-15-20(23-19-6-2-3-9-25(15)19)21(27)26-10-7-17-13-24(14-18(17)26)12-16-5-4-8-22-11-16/h2-6,8-9,11,17-18H,7,10,12-14H2,1H3/t17-,18+/m0/s1
InChIKeyLSYYKNGZHXXSRG-ZWKOTPCHSA-N
MW361.45 g/mol
LogP2.38
Rot. Bonds3

About [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 131696950) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID131696950
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1c(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc2ccccn12
InChIInChI=1S/C21H23N5O/c1-15-20(23-19-6-2-3-9-25(15)19)21(27)26-10-7-17-13-24(14-18(17)26)12-16-5-4-8-22-11-16/h2-6,8-9,11,17-18H,7,10,12-14H2,1H3/t17-,18+/m0/s1
InChIKeyLSYYKNGZHXXSRG-ZWKOTPCHSA-N
XLogP2.38
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone with MolForge

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Related Compounds

[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-(1-fluorocyclopropyl)methanone
CID 131685837
[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
CID 131686175
1-[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 131691918
(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131691846
[(4R,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 98895190
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
[(4S,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(cyclopenten-1-yl)methanone
CID 97421704
3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154571393
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 154569313
1-[(4S,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155841513
1-[(4S,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 171694461

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 131696950) is [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1c(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc2ccccn12.
What is the InChIKey of [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is LSYYKNGZHXXSRG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-20(23-19-6-2-3-9-25(15)19)21(27)26-10-7-17-13-24(14-18(17)26)12-16-5-4-8-22-11-16/h2-6,8-9,11,17-18H,7,10,12-14H2,1H3/t17-,18+/m0/s1.
What are the key properties of [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 131696950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).