1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 159476313) has the molecular formula C73H97N11O5 and a molecular weight of 1208.65 g/mol. Its IUPAC name is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name	1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID	159476313
Molecular Formula	C73H97N11O5
Molecular Weight	1208.65 g/mol
Exact Mass	1207.77
IUPAC Name	1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILES	CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCOc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2n1CCCC2.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ccc12.Cc1cccn2c(C(C)(CC(=O)C3[C@H]4CNC[C@@H]34)C3CC3)ncc12
InChI	InChI=1S/C20H25N3O.C19H24N2O.C18H24N2O2.C16H24N4O/c1-12-4-3-7-23-16(12)11-22-19(23)20(2,13-5-6-13)8-17(24)18-14-9-21-10-15(14)18;1-12-5-4-8-21-15(12)6-7-17(21)19(2,3)9-16(22)18-13-10-20-11-14(13)18;1-18(2,20-17(21)16-12-9-19-10-13(12)16)14-7-8-22-15-6-4-3-5-11(14)15;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13/h3-4,7,11,13-15,18,21H,5-6,8-10H2,1-2H3;4-8,13-14,18,20H,9-11H2,1-3H3;3-6,12-14,16,19H,7-10H2,1-2H3,(H,20,21);7,11-13,17H,3-6,8-9H2,1-2H3,(H,19,21)/t14-,15+,18?,20?;13-,14+,18?;12-,13+,14?,16?;11-,12+,13?
InChIKey	LWKRCANRSAEXDS-OEBXRMAQSA-N
XLogP	8.63
TPSA	189.22 Å²
H-Bond Donors	6
H-Bond Acceptors	14
Rotatable Bonds	15
Heavy Atoms	89
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1208.65
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Analyze 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 159476313) is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCOc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2n1CCCC2.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ccc12.Cc1cccn2c(C(C)(CC(=O)C3[C@H]4CNC[C@@H]34)C3CC3)ncc12.

What is the InChIKey of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is LWKRCANRSAEXDS-OEBXRMAQSA-N. The full InChI is InChI=1S/C20H25N3O.C19H24N2O.C18H24N2O2.C16H24N4O/c1-12-4-3-7-23-16(12)11-22-19(23)20(2,13-5-6-13)8-17(24)18-14-9-21-10-15(14)18;1-12-5-4-8-21-15(12)6-7-17(21)19(2,3)9-16(22)18-13-10-20-11-14(13)18;1-18(2,20-17(21)16-12-9-19-10-13(12)16)14-7-8-22-15-6-4-3-5-11(14)15;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13/h3-4,7,11,13-15,18,21H,5-6,8-10H2,1-2H3;4-8,13-14,18,20H,9-11H2,1-3H3;3-6,12-14,16,19H,7-10H2,1-2H3,(H,20,21);7,11-13,17H,3-6,8-9H2,1-2H3,(H,19,21)/t14-,15+,18?,20?;13-,14+,18?;12-,13+,14?,16?;11-,12+,13?.

What are the key properties of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

Where does this data come from?

All data for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 159476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).