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

C23H34N4O2 — CID 127037820

IUPACN-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCC(C)(C)CN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1
InChIInChI=1S/C23H34N4O2/c1-15(2)21-25-20(19-8-6-7-9-27(19)21)22(28)24-10-16-17-11-26(12-18(16)17)13-23(3,4)14-29-5/h6-9,15-18H,10-14H2,1-5H3,(H,24,28)/t16?,17-,18+
InChIKeyKYOTXTZWOUNYTR-AYHJJNSGSA-N
MW398.55 g/mol
LogP3.04
Rot. Bonds8

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

N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127037820) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-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-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127037820
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCC(C)(C)CN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1
InChIInChI=1S/C23H34N4O2/c1-15(2)21-25-20(19-8-6-7-9-27(19)21)22(28)24-10-16-17-11-26(12-18(16)17)13-23(3,4)14-29-5/h6-9,15-18H,10-14H2,1-5H3,(H,24,28)/t16?,17-,18+
InChIKeyKYOTXTZWOUNYTR-AYHJJNSGSA-N
XLogP3.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-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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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-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-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127037820) is N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-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-methoxy-2,2-dimethylpropyl)-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-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is COCC(C)(C)CN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1.
What is the InChIKey of N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KYOTXTZWOUNYTR-AYHJJNSGSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-15(2)21-25-20(19-8-6-7-9-27(19)21)22(28)24-10-16-17-11-26(12-18(16)17)13-23(3,4)14-29-5/h6-9,15-18H,10-14H2,1-5H3,(H,24,28)/t16?,17-,18+.
What are the key properties of N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[(1R,5S)-3-(3-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.04, 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-methoxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127037820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).