7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H15N5O2 — CID 154745769

IUPAC7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(C(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C16H15N5O2/c1-20-9-17-13-8-21(7-6-11(13)15(20)22)16(23)14-10-4-2-3-5-12(10)18-19-14/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKeyCCEGNMZYJFHQLH-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.86
Rot. Bonds1

About 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 154745769) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID154745769
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(C(=O)c1n[nH]c3ccccc13)C2
InChIInChI=1S/C16H15N5O2/c1-20-9-17-13-8-21(7-6-11(13)15(20)22)16(23)14-10-4-2-3-5-12(10)18-19-14/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKeyCCEGNMZYJFHQLH-UHFFFAOYSA-N
XLogP0.86
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102847847
3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999759
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
1H-indazol-3-yl-[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46996698
3-methyl-7-(5-propan-2-ylthiophene-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999775
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999810
7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 170858728
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 154745769) is 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cn1cnc2c(c1=O)CCN(C(=O)c1n[nH]c3ccccc13)C2.
What is the InChIKey of 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CCEGNMZYJFHQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20-9-17-13-8-21(7-6-11(13)15(20)22)16(23)14-10-4-2-3-5-12(10)18-19-14/h2-5,9H,6-8H2,1H3,(H,18,19).
What are the key properties of 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 309.33 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154745769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).