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

C17H21N5O2 — CID 135990819

IUPAC2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(C(=O)c1n[nH]c3c1CC(C)CC3)C2
InChIInChI=1S/C17H21N5O2/c1-9-3-4-13-12(7-9)15(21-20-13)17(24)22-6-5-11-14(8-22)18-10(2)19-16(11)23/h9H,3-8H2,1-2H3,(H,20,21)(H,18,19,23)
InChIKeyFVPGVVXAQILRAY-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.12
Rot. Bonds1

About 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135990819) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135990819
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(C(=O)c1n[nH]c3c1CC(C)CC3)C2
InChIInChI=1S/C17H21N5O2/c1-9-3-4-13-12(7-9)15(21-20-13)17(24)22-6-5-11-14(8-22)18-10(2)19-16(11)23/h9H,3-8H2,1-2H3,(H,20,21)(H,18,19,23)
InChIKeyFVPGVVXAQILRAY-UHFFFAOYSA-N
XLogP1.12
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135990819) is 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1n[nH]c3c1CC(C)CC3)C2.
What is the InChIKey of 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FVPGVVXAQILRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-9-3-4-13-12(7-9)15(21-20-13)17(24)22-6-5-11-14(8-22)18-10(2)19-16(11)23/h9H,3-8H2,1-2H3,(H,20,21)(H,18,19,23).
What are the key properties of 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 327.39 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135990819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).