[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone

C17H19N5O — CID 97469005

IUPAC[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(CC2CC2)c2ncccc2C1
InChIInChI=1S/C17H19N5O/c23-17(15-10-18-6-7-19-15)22-9-8-21(11-13-3-4-13)16-14(12-22)2-1-5-20-16/h1-2,5-7,10,13H,3-4,8-9,11-12H2
InChIKeyUQLIOVPDTKIRCB-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.74
Rot. Bonds3

About [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone

[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 97469005) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone
PubChem CID97469005
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(CC2CC2)c2ncccc2C1
InChIInChI=1S/C17H19N5O/c23-17(15-10-18-6-7-19-15)22-9-8-21(11-13-3-4-13)16-14(12-22)2-1-5-20-16/h1-2,5-7,10,13H,3-4,8-9,11-12H2
InChIKeyUQLIOVPDTKIRCB-UHFFFAOYSA-N
XLogP1.74
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone 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)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone (CID 97469005) is [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(CC2CC2)c2ncccc2C1.
What is the InChIKey of [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is UQLIOVPDTKIRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-17(15-10-18-6-7-19-15)22-9-8-21(11-13-3-4-13)16-14(12-22)2-1-5-20-16/h1-2,5-7,10,13H,3-4,8-9,11-12H2.
What are the key properties of [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone?
[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 309.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97469005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).