(2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C15H26N4O — CID 166367455

IUPAC(2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCC2CN=C(N[C@@H](C)C(=O)N3CCCC3)N2C1
InChIInChI=1S/C15H26N4O/c1-11-5-6-13-9-16-15(19(13)10-11)17-12(2)14(20)18-7-3-4-8-18/h11-13H,3-10H2,1-2H3,(H,16,17)/t11?,12-,13?/m0/s1
InChIKeyREJGRYDMWNEWHV-CPCZMJQVSA-N
MW278.40 g/mol
LogP1.06
Rot. Bonds2

About (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 166367455) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID166367455
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCC2CN=C(N[C@@H](C)C(=O)N3CCCC3)N2C1
InChIInChI=1S/C15H26N4O/c1-11-5-6-13-9-16-15(19(13)10-11)17-12(2)14(20)18-7-3-4-8-18/h11-13H,3-10H2,1-2H3,(H,16,17)/t11?,12-,13?/m0/s1
InChIKeyREJGRYDMWNEWHV-CPCZMJQVSA-N
XLogP1.06
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

6-methyl-N-(6-methylheptan-2-yl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 167968196
6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 166367494
6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 167957150
2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63994705
2-[(2-methylcyclopentyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 107418174
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
2-[(2-methylcyclopropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 62397935
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112749321
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 166367455) is (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC1CCC2CN=C(N[C@@H](C)C(=O)N3CCCC3)N2C1.
What is the InChIKey of (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is REJGRYDMWNEWHV-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-5-6-13-9-16-15(19(13)10-11)17-12(2)14(20)18-7-3-4-8-18/h11-13H,3-10H2,1-2H3,(H,16,17)/t11?,12-,13?/m0/s1.
What are the key properties of (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 166367455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).