N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

C21H30N4O3 — CID 127042087

IUPACN-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CN(C3CCOCC3)CCO2)c2ccccn12
InChIInChI=1S/C21H30N4O3/c1-15(2)20-23-19(18-5-3-4-8-25(18)20)21(26)22-13-17-14-24(9-12-28-17)16-6-10-27-11-7-16/h3-5,8,15-17H,6-7,9-14H2,1-2H3,(H,22,26)
InChIKeyHVNRSJACLYLTGO-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.07
Rot. Bonds5

About N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 127042087) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID127042087
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CN(C3CCOCC3)CCO2)c2ccccn12
InChIInChI=1S/C21H30N4O3/c1-15(2)20-23-19(18-5-3-4-8-25(18)20)21(26)22-13-17-14-24(9-12-28-17)16-6-10-27-11-7-16/h3-5,8,15-17H,6-7,9-14H2,1-2H3,(H,22,26)
InChIKeyHVNRSJACLYLTGO-UHFFFAOYSA-N
XLogP2.07
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 127042087) is N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)c1nc(C(=O)NCC2CN(C3CCOCC3)CCO2)c2ccccn12.
What is the InChIKey of N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is HVNRSJACLYLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15(2)20-23-19(18-5-3-4-8-25(18)20)21(26)22-13-17-14-24(9-12-28-17)16-6-10-27-11-7-16/h3-5,8,15-17H,6-7,9-14H2,1-2H3,(H,22,26).
What are the key properties of N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide?
N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-4-yl)morpholin-2-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 127042087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).