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

C17H20N6O — CID 90144118

IUPAC1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(N3C=CNC3)cc2n1)NC1CCCC1
InChIInChI=1S/C17H20N6O/c24-17(20-12-3-1-2-4-12)22-16-6-5-14-15(21-16)9-13(10-19-14)23-8-7-18-11-23/h5-10,12,18H,1-4,11H2,(H2,20,21,22,24)
InChIKeyAGCAFBXMCKPRSY-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.53
Rot. Bonds3

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

1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea (PubChem CID 90144118) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea
PubChem CID90144118
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea
SMILESO=C(Nc1ccc2ncc(N3C=CNC3)cc2n1)NC1CCCC1
InChIInChI=1S/C17H20N6O/c24-17(20-12-3-1-2-4-12)22-16-6-5-14-15(21-16)9-13(10-19-14)23-8-7-18-11-23/h5-10,12,18H,1-4,11H2,(H2,20,21,22,24)
InChIKeyAGCAFBXMCKPRSY-UHFFFAOYSA-N
XLogP2.53
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.53
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-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea (CID 90144118) is 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea is O=C(Nc1ccc2ncc(N3C=CNC3)cc2n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea?
The InChIKey is AGCAFBXMCKPRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-17(20-12-3-1-2-4-12)22-16-6-5-14-15(21-16)9-13(10-19-14)23-8-7-18-11-23/h5-10,12,18H,1-4,11H2,(H2,20,21,22,24).
What are the key properties of 1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea?
1-cyclopentyl-3-[7-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea has a molecular weight of 324.39 g/mol, XLogP of 2.53, 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-(1,2-dihydroimidazol-3-yl)-1,5-naphthyridin-2-yl]urea is sourced from PubChem (CID 90144118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).