1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one

C24H25N5O2 — CID 157030319

IUPAC1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCOc1ccc(N2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2=O)cc1
InChIInChI=1S/C24H25N5O2/c1-31-18-11-9-17(10-12-18)29-15-5-14-28(16-22(29)30)24-19-6-4-8-20(19)26-23(27-24)21-7-2-3-13-25-21/h2-3,7,9-13H,4-6,8,14-16H2,1H3
InChIKeyYHGVCLGXWLNPHJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one

1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 157030319) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID157030319
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCOc1ccc(N2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2=O)cc1
InChIInChI=1S/C24H25N5O2/c1-31-18-11-9-17(10-12-18)29-15-5-14-28(16-22(29)30)24-19-6-4-8-20(19)26-23(27-24)21-7-2-3-13-25-21/h2-3,7,9-13H,4-6,8,14-16H2,1H3
InChIKeyYHGVCLGXWLNPHJ-UHFFFAOYSA-N
XLogP3.28
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one (CID 157030319) is 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one is COc1ccc(N2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is YHGVCLGXWLNPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-31-18-11-9-17(10-12-18)29-15-5-14-28(16-22(29)30)24-19-6-4-8-20(19)26-23(27-24)21-7-2-3-13-25-21/h2-3,7,9-13H,4-6,8,14-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one?
1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 157030319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).