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

C19H25N5O — CID 97469191

IUPAC2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)CC1CC1)C2
InChIInChI=1S/C19H25N5O/c1-15-3-6-17-14-23(18(25)13-16-4-5-16)10-9-22(19(17)21-15)11-12-24-8-2-7-20-24/h2-3,6-8,16H,4-5,9-14H2,1H3
InChIKeyCONXLPBMXAQRBH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.24
Rot. Bonds5

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

2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone (PubChem CID 97469191) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
PubChem CID97469191
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)CC1CC1)C2
InChIInChI=1S/C19H25N5O/c1-15-3-6-17-14-23(18(25)13-16-4-5-16)10-9-22(19(17)21-15)11-12-24-8-2-7-20-24/h2-3,6-8,16H,4-5,9-14H2,1H3
InChIKeyCONXLPBMXAQRBH-UHFFFAOYSA-N
XLogP2.24
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone (CID 97469191) is 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone is Cc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)CC1CC1)C2.
What is the InChIKey of 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
The InChIKey is CONXLPBMXAQRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-3-6-17-14-23(18(25)13-16-4-5-16)10-9-22(19(17)21-15)11-12-24-8-2-7-20-24/h2-3,6-8,16H,4-5,9-14H2,1H3.
What are the key properties of 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone?
2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone is sourced from PubChem (CID 97469191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).