4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid

C35H36N10O4 — CID 158310913

IUPAC4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)CCCO)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1
InChIInChI=1S/C19H21N5O2.C16H15N5O2/c1-12(2)13-9-19(24-21-11-13)23-18-6-5-15-16(22-18)8-14(10-20-15)17(26)4-3-7-25;1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h5-6,8-12,25H,3-4,7H2,1-2H3,(H,22,23,24);3-9H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyGNQZRRBCAKCHJV-UHFFFAOYSA-N
MW660.74 g/mol
LogP6.23
Rot. Bonds11

About 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid

4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 158310913) has the molecular formula C35H36N10O4 and a molecular weight of 660.74 g/mol. Its IUPAC name is 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
PubChem CID158310913
Molecular FormulaC35H36N10O4
Molecular Weight660.74 g/mol
Exact Mass660.29
IUPAC Name4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)CCCO)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1
InChIInChI=1S/C19H21N5O2.C16H15N5O2/c1-12(2)13-9-19(24-21-11-13)23-18-6-5-15-16(22-18)8-14(10-20-15)17(26)4-3-7-25;1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h5-6,8-12,25H,3-4,7H2,1-2H3,(H,22,23,24);3-9H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyGNQZRRBCAKCHJV-UHFFFAOYSA-N
XLogP6.23
TPSA201.78 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500660.74
LogP ≤ 56.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid (CID 158310913) is 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid is CC(C)c1cnnc(Nc2ccc3ncc(C(=O)CCCO)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1.
What is the InChIKey of 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is GNQZRRBCAKCHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.C16H15N5O2/c1-12(2)13-9-19(24-21-11-13)23-18-6-5-15-16(22-18)8-14(10-20-15)17(26)4-3-7-25;1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h5-6,8-12,25H,3-4,7H2,1-2H3,(H,22,23,24);3-9H,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 660.74 g/mol, XLogP of 6.23, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butan-1-one;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158310913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).