tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen

C24H40N4O4 — CID 145079661

IUPACtert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1CCOCC1.Cc1cccn2c(C(C)(CC(C)C)NC=O)ncc12.[H][H]
InChIInChI=1S/C15H21N3O.C9H17NO3.H2/c1-11(2)8-15(4,17-10-19)14-16-9-13-12(3)6-5-7-18(13)14;1-9(2,3)13-8(11)10-4-6-12-7-5-10;/h5-7,9-11H,8H2,1-4H3,(H,17,19);4-7H2,1-3H3;1H
InChIKeyDHBMPVWGCLRWSL-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.15
Rot. Bonds5

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

tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen (PubChem CID 145079661) has the molecular formula C24H40N4O4 and a molecular weight of 448.61 g/mol. Its IUPAC name is tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen
PubChem CID145079661
Molecular FormulaC24H40N4O4
Molecular Weight448.61 g/mol
Exact Mass448.30
IUPAC Nametert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1CCOCC1.Cc1cccn2c(C(C)(CC(C)C)NC=O)ncc12.[H][H]
InChIInChI=1S/C15H21N3O.C9H17NO3.H2/c1-11(2)8-15(4,17-10-19)14-16-9-13-12(3)6-5-7-18(13)14;1-9(2,3)13-8(11)10-4-6-12-7-5-10;/h5-7,9-11H,8H2,1-4H3,(H,17,19);4-7H2,1-3H3;1H
InChIKeyDHBMPVWGCLRWSL-UHFFFAOYSA-N
XLogP4.15
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.15
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 morpholine-4-carboxylate;N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]formamide
CID 145079686
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CID 123686398
tert-butyl (2S)-2-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-2-ylcarbamoyl]morpholine-4-carboxylate
CID 121346719
tert-butyl 6-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346698
1-bromo-3-methylbenzene;tert-butyl morpholine-4-carboxylate
CID 171499341
2-(3-azabicyclo[3.2.1]octan-8-yl)-N-[2-(8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide
CID 166856727
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-butyl 4-(morpholine-4-carbonyl)-4-phenylpiperidine-1-carboxylate
CID 67341747
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
tert-butyl 4-[1-(2,6-dimethylphenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281499

Frequently Asked Questions

What is the IUPAC name of tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen?
The IUPAC name of 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) is tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen.
What is the SMILES notation for tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen?
The canonical SMILES for tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen is CC(C)(C)OC(=O)N1CCOCC1.Cc1cccn2c(C(C)(CC(C)C)NC=O)ncc12.[H][H].
What is the InChIKey of tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen?
The InChIKey is DHBMPVWGCLRWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.C9H17NO3.H2/c1-11(2)8-15(4,17-10-19)14-16-9-13-12(3)6-5-7-18(13)14;1-9(2,3)13-8(11)10-4-6-12-7-5-10;/h5-7,9-11H,8H2,1-4H3,(H,17,19);4-7H2,1-3H3;1H.
What are the key properties of tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen?
tert-butyl morpholine-4-carboxylate;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen has a molecular weight of 448.61 g/mol, XLogP of 4.15, 5 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-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]formamide;molecular hydrogen is sourced from PubChem (CID 145079661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).