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

C18H19N5O2S — CID 137049291

IUPAC2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
InChIInChI=1S/C18H19N5O2S/c24-16-15-14(5-8-26-15)20-18(21-16)23-10-13(9-19-23)17(25)22-6-3-12(4-7-22)11-1-2-11/h5,8-12H,1-4,6-7H2,(H,20,21,24)
InChIKeyFGNCTVNMZZOBRN-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.43
Rot. Bonds3

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

2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137049291) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137049291
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
InChIInChI=1S/C18H19N5O2S/c24-16-15-14(5-8-26-15)20-18(21-16)23-10-13(9-19-23)17(25)22-6-3-12(4-7-22)11-1-2-11/h5,8-12H,1-4,6-7H2,(H,20,21,24)
InChIKeyFGNCTVNMZZOBRN-UHFFFAOYSA-N
XLogP2.43
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-cyclopropylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137049291) is 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FGNCTVNMZZOBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-16-15-14(5-8-26-15)20-18(21-16)23-10-13(9-19-23)17(25)22-6-3-12(4-7-22)11-1-2-11/h5,8-12H,1-4,6-7H2,(H,20,21,24).
What are the key properties of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137049291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).