(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide

C17H21BrN4O — CID 171564426

IUPAC(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@@H]2CNC[C@H]1C2)c1nc(Br)c2ccccn12
InChIInChI=1S/C17H21BrN4O/c1-17(2,16-20-14(18)12-5-3-4-6-22(12)16)21-15(23)13-10-7-11(13)9-19-8-10/h3-6,10-11,13,19H,7-9H2,1-2H3,(H,21,23)/t10-,11+,13?
InChIKeyVLMANTNVLOWFSR-QYJAPNMZSA-N
MW377.29 g/mol
LogP2.30
Rot. Bonds3

About (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide

(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 171564426) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID171564426
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@@H]2CNC[C@H]1C2)c1nc(Br)c2ccccn12
InChIInChI=1S/C17H21BrN4O/c1-17(2,16-20-14(18)12-5-3-4-6-22(12)16)21-15(23)13-10-7-11(13)9-19-8-10/h3-6,10-11,13,19H,7-9H2,1-2H3,(H,21,23)/t10-,11+,13?
InChIKeyVLMANTNVLOWFSR-QYJAPNMZSA-N
XLogP2.30
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide (CID 171564426) is (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide is CC(C)(NC(=O)C1[C@@H]2CNC[C@H]1C2)c1nc(Br)c2ccccn12.
What is the InChIKey of (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is VLMANTNVLOWFSR-QYJAPNMZSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-17(2,16-20-14(18)12-5-3-4-6-22(12)16)21-15(23)13-10-7-11(13)9-19-8-10/h3-6,10-11,13,19H,7-9H2,1-2H3,(H,21,23)/t10-,11+,13?.
What are the key properties of (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
(1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(1-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 171564426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).