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

C18H25N5 — CID 97391306

IUPAC4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(CC1CC1)C2
InChIInChI=1S/C18H25N5/c1-15-3-6-17-14-21(13-16-4-5-16)9-10-22(18(17)20-15)11-12-23-8-2-7-19-23/h2-3,6-8,16H,4-5,9-14H2,1H3
InChIKeyGEWYZNVBUQWYMR-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.32
Rot. Bonds5

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

4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97391306) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97391306
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(CC1CC1)C2
InChIInChI=1S/C18H25N5/c1-15-3-6-17-14-21(13-16-4-5-16)9-10-22(18(17)20-15)11-12-23-8-2-7-19-23/h2-3,6-8,16H,4-5,9-14H2,1H3
InChIKeyGEWYZNVBUQWYMR-UHFFFAOYSA-N
XLogP2.32
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97391306) is 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(CCn1cccn1)CCN(CC1CC1)C2.
What is the InChIKey of 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is GEWYZNVBUQWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-15-3-6-17-14-21(13-16-4-5-16)9-10-22(18(17)20-15)11-12-23-8-2-7-19-23/h2-3,6-8,16H,4-5,9-14H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 311.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97391306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).