4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one

C20H27N5O2 — CID 56888801

IUPAC4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1nc2ncccn2c1C(=O)N1CCC(=O)N(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C20H27N5O2/c1-13(2)16-12-23(10-7-17(26)25(16)11-15-5-6-15)19(27)18-14(3)22-20-21-8-4-9-24(18)20/h4,8-9,13,15-16H,5-7,10-12H2,1-3H3
InChIKeyBSQUBIUAIWDLPH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.15
Rot. Bonds4

About 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56888801) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56888801
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1nc2ncccn2c1C(=O)N1CCC(=O)N(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C20H27N5O2/c1-13(2)16-12-23(10-7-17(26)25(16)11-15-5-6-15)19(27)18-14(3)22-20-21-8-4-9-24(18)20/h4,8-9,13,15-16H,5-7,10-12H2,1-3H3
InChIKeyBSQUBIUAIWDLPH-UHFFFAOYSA-N
XLogP2.15
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one 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 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (CID 56888801) is 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is Cc1nc2ncccn2c1C(=O)N1CCC(=O)N(CC2CC2)C(C(C)C)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is BSQUBIUAIWDLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)16-12-23(10-7-17(26)25(16)11-15-5-6-15)19(27)18-14(3)22-20-21-8-4-9-24(18)20/h4,8-9,13,15-16H,5-7,10-12H2,1-3H3.
What are the key properties of 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 369.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56888801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).