2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one

C22H21N5O2S — CID 137049187

IUPAC2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C22H21N5O2S/c1-14-17(13-23-27(14)22-24-18-9-12-30-19(18)20(28)25-22)21(29)26-10-7-16(8-11-26)15-5-3-2-4-6-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,24,25,28)
InChIKeyXIGROOYOCQXDNJ-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.50
Rot. Bonds3

About 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137049187) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137049187
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C22H21N5O2S/c1-14-17(13-23-27(14)22-24-18-9-12-30-19(18)20(28)25-22)21(29)26-10-7-16(8-11-26)15-5-3-2-4-6-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,24,25,28)
InChIKeyXIGROOYOCQXDNJ-UHFFFAOYSA-N
XLogP3.50
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-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

Related Compounds

3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462279
2-[4-(4-cyclopropylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049264
2-[5-Methyl-4-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049597
Cambridge id 5583804
CID 1350714
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89473543
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126739446
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750676
1-[5-methyl-1-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 126750730
2-[4-(4-cyclopropylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750846
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126758040
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126758571

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137049187) is 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XIGROOYOCQXDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-14-17(13-23-27(14)22-24-18-9-12-30-19(18)20(28)25-22)21(29)26-10-7-16(8-11-26)15-5-3-2-4-6-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,24,25,28).
What are the key properties of 2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 419.51 g/mol, XLogP of 3.50, 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-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137049187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).