N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C23H23N5O2S — CID 78830499

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C23H23N5O2S/c1-14-19-22(24-13-27(2)23(19)30)31-20(14)21(29)25-18-12-17(15-8-6-7-9-15)26-28(18)16-10-4-3-5-11-16/h3-5,10-13,15H,6-9H2,1-2H3,(H,25,29)
InChIKeyNUSRMWXIJLHDCQ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.40
Rot. Bonds4

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 78830499) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID78830499
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C23H23N5O2S/c1-14-19-22(24-13-27(2)23(19)30)31-20(14)21(29)25-18-12-17(15-8-6-7-9-15)26-28(18)16-10-4-3-5-11-16/h3-5,10-13,15H,6-9H2,1-2H3,(H,25,29)
InChIKeyNUSRMWXIJLHDCQ-UHFFFAOYSA-N
XLogP4.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 78830499) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)sc2ncn(C)c(=O)c12.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NUSRMWXIJLHDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-19-22(24-13-27(2)23(19)30)31-20(14)21(29)25-18-12-17(15-8-6-7-9-15)26-28(18)16-10-4-3-5-11-16/h3-5,10-13,15H,6-9H2,1-2H3,(H,25,29).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 78830499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).