8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C18H25N5O — CID 134074593

IUPAC8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(C1CCOC1)C2
InChIInChI=1S/C18H25N5O/c1-15-3-4-16-13-22(17-5-12-24-14-17)9-8-21(18(16)20-15)10-11-23-7-2-6-19-23/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyRJRSAIBHNLSYLW-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.70
Rot. Bonds4

About 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 134074593) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID134074593
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(C1CCOC1)C2
InChIInChI=1S/C18H25N5O/c1-15-3-4-16-13-22(17-5-12-24-14-17)9-8-21(18(16)20-15)10-11-23-7-2-6-19-23/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyRJRSAIBHNLSYLW-UHFFFAOYSA-N
XLogP1.70
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-8-methyl-4-[(3R)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 124521613
2-methyl-4-[[4-[(3S)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 98777803
[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529272
6-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridazin-3-amine
CID 131659046
1-butyl-4-[(3S)-oxolan-3-yl]piperazin-2-one
CID 164632944
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
CID 162821718
6-methyl-N-[[7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyridazin-3-amine
CID 97389770
6-methyl-N-[[7-[(3R)-oxolan-3-yl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyridazin-3-amine
CID 97389769
[1-methyl-5-(oxan-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162792765
2-(oxolan-3-yl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 166120622

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 134074593) is 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(CCn1cccn1)CCN(C1CCOC1)C2.
What is the InChIKey of 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is RJRSAIBHNLSYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-15-3-4-16-13-22(17-5-12-24-14-17)9-8-21(18(16)20-15)10-11-23-7-2-6-19-23/h2-4,6-7,17H,5,8-14H2,1H3.
What are the key properties of 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 327.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(oxolan-3-yl)-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 134074593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).