1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C18H25N5 — CID 97469151

IUPAC1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CC1CC1)CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C18H25N5/c1-14-3-6-17-13-22(11-16-9-19-21(2)10-16)7-8-23(18(17)20-14)12-15-4-5-15/h3,6,9-10,15H,4-5,7-8,11-13H2,1-2H3
InChIKeyYWPVPTRQZKWHMY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.36
Rot. Bonds4

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

1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97469151) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97469151
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CC1CC1)CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C18H25N5/c1-14-3-6-17-13-22(11-16-9-19-21(2)10-16)7-8-23(18(17)20-14)12-15-4-5-15/h3,6,9-10,15H,4-5,7-8,11-13H2,1-2H3
InChIKeyYWPVPTRQZKWHMY-UHFFFAOYSA-N
XLogP2.36
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97469151) is 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(CC1CC1)CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is YWPVPTRQZKWHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-3-6-17-13-22(11-16-9-19-21(2)10-16)7-8-23(18(17)20-14)12-15-4-5-15/h3,6,9-10,15H,4-5,7-8,11-13H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 311.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97469151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).