N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C22H27N5O2 — CID 16882166

IUPACN-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)NC1CCCCC1C
InChIInChI=1S/C22H27N5O2/c1-15-8-6-7-11-19(15)25-20(28)12-13-26-16(2)24-21-18(22(26)29)14-23-27(21)17-9-4-3-5-10-17/h3-5,9-10,14-15,19H,6-8,11-13H2,1-2H3,(H,25,28)
InChIKeyUZZKQKXBPNASMW-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.98
Rot. Bonds5

About N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 16882166) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID16882166
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)NC1CCCCC1C
InChIInChI=1S/C22H27N5O2/c1-15-8-6-7-11-19(15)25-20(28)12-13-26-16(2)24-21-18(22(26)29)14-23-27(21)17-9-4-3-5-10-17/h3-5,9-10,14-15,19H,6-8,11-13H2,1-2H3,(H,25,28)
InChIKeyUZZKQKXBPNASMW-UHFFFAOYSA-N
XLogP2.98
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 16882166) is N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is UZZKQKXBPNASMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-8-6-7-11-19(15)25-20(28)12-13-26-16(2)24-21-18(22(26)29)14-23-27(21)17-9-4-3-5-10-17/h3-5,9-10,14-15,19H,6-8,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 16882166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).