N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C21H30N4O2 — CID 127037818

IUPACN-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1
InChIInChI=1S/C21H30N4O2/c1-14(2)20-23-19(18-7-4-5-9-25(18)20)21(26)22-11-15-16-12-24(13-17(15)16)8-6-10-27-3/h4-5,7,9,14-17H,6,8,10-13H2,1-3H3,(H,22,26)/t15?,16-,17+
InChIKeyPIWCAMJYLCDVQL-ALOPSCKCSA-N
MW370.50 g/mol
LogP2.40
Rot. Bonds8

About N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127037818) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127037818
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1
InChIInChI=1S/C21H30N4O2/c1-14(2)20-23-19(18-7-4-5-9-25(18)20)21(26)22-11-15-16-12-24(13-17(15)16)8-6-10-27-3/h4-5,7,9,14-17H,6,8,10-13H2,1-3H3,(H,22,26)/t15?,16-,17+
InChIKeyPIWCAMJYLCDVQL-ALOPSCKCSA-N
XLogP2.40
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-[6-ethyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548181
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CID 58548310
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548397
6-cyclopropyl-N-[6-methyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548412
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
N,N-Dicyclopropyl-6-Ethyl-4-[(3-Methoxypropyl)amino]-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide
CID 91827514
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 77105903
Methyl 4-[[4-[[(2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 145967487
7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 162665513
N-[3-(cyclopropylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 9360968
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 10107174

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127037818) is N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is COCCCN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1.
What is the InChIKey of N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is PIWCAMJYLCDVQL-ALOPSCKCSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(2)20-23-19(18-7-4-5-9-25(18)20)21(26)22-11-15-16-12-24(13-17(15)16)8-6-10-27-3/h4-5,7,9,14-17H,6,8,10-13H2,1-3H3,(H,22,26)/t15?,16-,17+.
What are the key properties of N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127037818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).