1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea

C18H22N6O2 — CID 71249327

IUPAC1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C1CN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CCN1
InChIInChI=1S/C18H22N6O2/c25-17-11-24(8-7-19-17)13-9-15-14(20-10-13)5-6-16(22-15)23-18(26)21-12-3-1-2-4-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,19,25)(H2,21,22,23,26)
InChIKeyQWHDAIJUBVXVRL-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.63
Rot. Bonds3

About 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea

1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 71249327) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID71249327
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C1CN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CCN1
InChIInChI=1S/C18H22N6O2/c25-17-11-24(8-7-19-17)13-9-15-14(20-10-13)5-6-16(22-15)23-18(26)21-12-3-1-2-4-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,19,25)(H2,21,22,23,26)
InChIKeyQWHDAIJUBVXVRL-UHFFFAOYSA-N
XLogP1.63
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea (CID 71249327) is 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea is O=C1CN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CCN1.
What is the InChIKey of 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is QWHDAIJUBVXVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-17-11-24(8-7-19-17)13-9-15-14(20-10-13)5-6-16(22-15)23-18(26)21-12-3-1-2-4-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,19,25)(H2,21,22,23,26).
What are the key properties of 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea?
1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 354.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[7-(3-oxopiperazin-1-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 71249327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).