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

C18H24N6O — CID 97469195

IUPACN-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)NC1CC1)C2
InChIInChI=1S/C18H24N6O/c1-14-3-4-15-13-23(18(25)21-16-5-6-16)10-9-22(17(15)20-14)11-12-24-8-2-7-19-24/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,21,25)
InChIKeyWDACAPJCNCYMBY-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.78
Rot. Bonds4

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

N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide (PubChem CID 97469195) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
PubChem CID97469195
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
SMILESCc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)NC1CC1)C2
InChIInChI=1S/C18H24N6O/c1-14-3-4-15-13-23(18(25)21-16-5-6-16)10-9-22(17(15)20-14)11-12-24-8-2-7-19-24/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,21,25)
InChIKeyWDACAPJCNCYMBY-UHFFFAOYSA-N
XLogP1.78
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The IUPAC name of N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide (CID 97469195) is N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide is Cc1ccc2c(n1)N(CCn1cccn1)CCN(C(=O)NC1CC1)C2.
What is the InChIKey of N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The InChIKey is WDACAPJCNCYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14-3-4-15-13-23(18(25)21-16-5-6-16)10-9-22(17(15)20-14)11-12-24-8-2-7-19-24/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-methyl-1-(2-pyrazol-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide is sourced from PubChem (CID 97469195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).