8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one

C25H19ClN4O2 — CID 139551966

IUPAC8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(OC5CC5)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C25H19ClN4O2/c1-29-13-17-12-19(7-10-21(17)28-29)30-14-16-4-11-22(32-20-8-9-20)27-24(16)23(25(30)31)15-2-5-18(26)6-3-15/h2-7,10-14,20H,8-9H2,1H3
InChIKeyHVKVAKPAYGHQQL-UHFFFAOYSA-N
MW442.91 g/mol
LogP5.13
Rot. Bonds4

About 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one

8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one (PubChem CID 139551966) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
PubChem CID139551966
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(OC5CC5)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C25H19ClN4O2/c1-29-13-17-12-19(7-10-21(17)28-29)30-14-16-4-11-22(32-20-8-9-20)27-24(16)23(25(30)31)15-2-5-18(26)6-3-15/h2-7,10-14,20H,8-9H2,1H3
InChIKeyHVKVAKPAYGHQQL-UHFFFAOYSA-N
XLogP5.13
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one (CID 139551966) is 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one is Cn1cc2cc(-n3cc4ccc(OC5CC5)nc4c(-c4ccc(Cl)cc4)c3=O)ccc2n1.
What is the InChIKey of 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
The InChIKey is HVKVAKPAYGHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-29-13-17-12-19(7-10-21(17)28-29)30-14-16-4-11-22(32-20-8-9-20)27-24(16)23(25(30)31)15-2-5-18(26)6-3-15/h2-7,10-14,20H,8-9H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one has a molecular weight of 442.91 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2-cyclopropyloxy-6-(2-methylindazol-5-yl)-1,6-naphthyridin-7-one is sourced from PubChem (CID 139551966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).