N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C27H38N4O2 — CID 71131262

IUPACN-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC12CC(NC(=O)c3nc(CCN4CCOCC4)n4ccccc34)CC3CC(C)(CC3C1)C2
InChIInChI=1S/C27H38N4O2/c1-26-14-19-13-21(17-27(2,18-26)16-20(19)15-26)28-25(32)24-22-5-3-4-7-31(22)23(29-24)6-8-30-9-11-33-12-10-30/h3-5,7,19-21H,6,8-18H2,1-2H3,(H,28,32)
InChIKeyCBFBLXALRJVXNO-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.93
Rot. Bonds5

About N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 71131262) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID71131262
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC NameN-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC12CC(NC(=O)c3nc(CCN4CCOCC4)n4ccccc34)CC3CC(C)(CC3C1)C2
InChIInChI=1S/C27H38N4O2/c1-26-14-19-13-21(17-27(2,18-26)16-20(19)15-26)28-25(32)24-22-5-3-4-7-31(22)23(29-24)6-8-30-9-11-33-12-10-30/h3-5,7,19-21H,6,8-18H2,1-2H3,(H,28,32)
InChIKeyCBFBLXALRJVXNO-UHFFFAOYSA-N
XLogP3.93
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
CID 86617457
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 131670872
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
N-(3-methylbutyl)-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069396
4-(2-imidazo[1,5-a]pyridin-3-ylethyl)morpholine
CID 68830016
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831030
N-cyclopropyl-1-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]imidazole-4-carboxamide
CID 97447552
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
(3-methylmorpholin-4-yl)-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 110631082
(2,3-dichlorophenyl)-[3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 57436279
3-N-cyclohexyl-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067383

Frequently Asked Questions

What is the IUPAC name of N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 71131262) is N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is CC12CC(NC(=O)c3nc(CCN4CCOCC4)n4ccccc34)CC3CC(C)(CC3C1)C2.
What is the InChIKey of N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CBFBLXALRJVXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-26-14-19-13-21(17-27(2,18-26)16-20(19)15-26)28-25(32)24-22-5-3-4-7-31(22)23(29-24)6-8-30-9-11-33-12-10-30/h3-5,7,19-21H,6,8-18H2,1-2H3,(H,28,32).
What are the key properties of N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-dimethyl-5-tricyclo[5.3.1.03,9]undecanyl)-3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 71131262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).