ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide

C19H25N5O3 — CID 145225176

IUPACethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide
SMILESCC.CC1OCc2cnc(C(=O)NC3CCn4cncc4N(C)C3=O)cc21
InChIInChI=1S/C17H19N5O3.C2H6/c1-10-12-5-14(19-6-11(12)8-25-10)16(23)20-13-3-4-22-9-18-7-15(22)21(2)17(13)24;1-2/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,20,23);1-2H3
InChIKeyUKDROISPERFMHL-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.06
Rot. Bonds2

About ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide

ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide (PubChem CID 145225176) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide
PubChem CID145225176
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Nameethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide
SMILESCC.CC1OCc2cnc(C(=O)NC3CCn4cncc4N(C)C3=O)cc21
InChIInChI=1S/C17H19N5O3.C2H6/c1-10-12-5-14(19-6-11(12)8-25-10)16(23)20-13-3-4-22-9-18-7-15(22)21(2)17(13)24;1-2/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,20,23);1-2H3
InChIKeyUKDROISPERFMHL-UHFFFAOYSA-N
XLogP2.06
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-(2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl)-5-phenylisoquinoline-3-carboxamide
CID 140764917
(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
CID 163539538
N-[(6R)-2-(2-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 175813205
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(1,2,4-triazol-1-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22047038
N-[(6R)-2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 175813267
[4-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]carbamic acid
CID 174219361
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 75390408
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide
CID 140764912
1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide
CID 140764731
(7S)-7-(2-fluorophenyl)-N-[(6S)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 134607436
5-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidine-4-carboxamide
CID 136512866
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 106258786

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide?
The IUPAC name of ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide (CID 145225176) is ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide is CC.CC1OCc2cnc(C(=O)NC3CCn4cncc4N(C)C3=O)cc21.
What is the InChIKey of ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide?
The InChIKey is UKDROISPERFMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3.C2H6/c1-10-12-5-14(19-6-11(12)8-25-10)16(23)20-13-3-4-22-9-18-7-15(22)21(2)17(13)24;1-2/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,20,23);1-2H3.
What are the key properties of ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide?
ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-imidazo[1,5-a][1,3]diazepin-3-yl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 145225176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).