2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C26H28N6O2 — CID 137049208

IUPAC2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3cn(C)c4ccccc34)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C26H28N6O2/c1-16-20(14-27-32(16)26-28-22-8-5-7-19(22)24(33)29-26)25(34)31-12-10-17(11-13-31)21-15-30(2)23-9-4-3-6-18(21)23/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3,(H,28,29,33)
InChIKeyWLWIDCFOVNIMMY-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.26
Rot. Bonds3

About 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049208) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049208
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3cn(C)c4ccccc34)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C26H28N6O2/c1-16-20(14-27-32(16)26-28-22-8-5-7-19(22)24(33)29-26)25(34)31-12-10-17(11-13-31)21-15-30(2)23-9-4-3-6-18(21)23/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3,(H,28,29,33)
InChIKeyWLWIDCFOVNIMMY-UHFFFAOYSA-N
XLogP3.26
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049208) is 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(c3cn(C)c4ccccc34)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is WLWIDCFOVNIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-20(14-27-32(16)26-28-22-8-5-7-19(22)24(33)29-26)25(34)31-12-10-17(11-13-31)21-15-30(2)23-9-4-3-6-18(21)23/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3,(H,28,29,33).
What are the key properties of 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 456.55 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[4-(1-methylindol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).