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

C18H25N3O2 — CID 97383629

IUPAC[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(CC2CC2)c2ncccc2C1
InChIInChI=1S/C18H25N3O2/c22-18(15-5-10-23-11-6-15)21-9-8-20(12-14-3-4-14)17-16(13-21)2-1-7-19-17/h1-2,7,14-15H,3-6,8-13H2
InChIKeyDFIFYHFEUBFFNZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.07
Rot. Bonds3

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

[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone (PubChem CID 97383629) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone
PubChem CID97383629
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(CC2CC2)c2ncccc2C1
InChIInChI=1S/C18H25N3O2/c22-18(15-5-10-23-11-6-15)21-9-8-20(12-14-3-4-14)17-16(13-21)2-1-7-19-17/h1-2,7,14-15H,3-6,8-13H2
InChIKeyDFIFYHFEUBFFNZ-UHFFFAOYSA-N
XLogP2.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone 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]-(oxan-4-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone (CID 97383629) is [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCN(CC2CC2)c2ncccc2C1.
What is the InChIKey of [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is DFIFYHFEUBFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(15-5-10-23-11-6-15)21-9-8-20(12-14-3-4-14)17-16(13-21)2-1-7-19-17/h1-2,7,14-15H,3-6,8-13H2.
What are the key properties of [1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone?
[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(oxan-4-yl)methanone is sourced from PubChem (CID 97383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).