tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide

C24H36N4O4 — CID 145079686

IUPACtert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide
SMILESCC(C)(C)OC(=O)N1CCOCC1.Cc1cccn2c(C(C)(C)NC=O)nc(C3CC3)c12
InChIInChI=1S/C15H19N3O.C9H17NO3/c1-10-5-4-8-18-13(10)12(11-6-7-11)17-14(18)15(2,3)16-9-19;1-9(2,3)13-8(11)10-4-6-12-7-5-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,19);4-7H2,1-3H3
InChIKeyJLNULIGCYBNFFD-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide

tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide (PubChem CID 145079686) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide.

Molecular Properties

Compound Nametert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide
PubChem CID145079686
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Nametert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide
SMILESCC(C)(C)OC(=O)N1CCOCC1.Cc1cccn2c(C(C)(C)NC=O)nc(C3CC3)c12
InChIInChI=1S/C15H19N3O.C9H17NO3/c1-10-5-4-8-18-13(10)12(11-6-7-11)17-14(18)15(2,3)16-9-19;1-9(2,3)13-8(11)10-4-6-12-7-5-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,19);4-7H2,1-3H3
InChIKeyJLNULIGCYBNFFD-UHFFFAOYSA-N
XLogP3.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 9-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-3,5-dihydro-2H-pyrido[4,3-f][1,4]oxazepine-4-carboxylate
CID 121339632
tert-butyl 6-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346698
tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen
CID 145079661
tert-butyl 2-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346696
tert-butyl N-[2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]carbamate
CID 163917548
N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
CID 121339293
tert-butyl 3-azabicyclo[3.1.1]heptane-3-carboxylate;N-[2-(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]nitrous amide
CID 171564437
tert-butyl 4-[1-(2,6-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281499
N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 177003778
tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
CID 121346719
1-bromo-3-methylbenzene;tert-butyl morpholine-4-carboxylate
CID 171499341
tert-butyl (1R,5S)-6-[3-methyl-3-[8-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]butanoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 147691672

Frequently Asked Questions

What is the IUPAC name of tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide?
The IUPAC name of tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide (CID 145079686) is tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide.
What is the SMILES notation for tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide?
The canonical SMILES for tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide is CC(C)(C)OC(=O)N1CCOCC1.Cc1cccn2c(C(C)(C)NC=O)nc(C3CC3)c12.
What is the InChIKey of tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide?
The InChIKey is JLNULIGCYBNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C9H17NO3/c1-10-5-4-8-18-13(10)12(11-6-7-11)17-14(18)15(2,3)16-9-19;1-9(2,3)13-8(11)10-4-6-12-7-5-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,19);4-7H2,1-3H3.
What are the key properties of tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide?
tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide has a molecular weight of 444.58 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 145079686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).