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

C18H19N5O2S — CID 126750867

IUPAC2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C(c1cnn(-c2nc3sccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
InChIInChI=1S/C18H19N5O2S/c24-15-14-5-8-26-16(14)21-18(20-15)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)
InChIKeyGIXXVUUIFQUQIU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.43
Rot. Bonds3

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

2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 126750867) 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[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID126750867
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=C(c1cnn(-c2nc3sccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
InChIInChI=1S/C18H19N5O2S/c24-15-14-5-8-26-16(14)21-18(20-15)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)
InChIKeyGIXXVUUIFQUQIU-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

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Related Compounds

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-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750491
4-ethyl-1-[5-methyl-1-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 126750622
2-[4-(1-hydroxy-3-azabicyclo[3.1.0]hexane-3-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750671
2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750754
2-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750778
2-[4-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750813
2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750815
2-[4-(4-cyclopropylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126750846
2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049291
N-(2-cyclopentylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 40105193
1-methyl-6-[4-(thiophene-3-carbonyl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136263621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 126750867) is 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one is O=C(c1cnn(-c2nc3sccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GIXXVUUIFQUQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-15-14-5-8-26-16(14)21-18(20-15)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[2,3-d]pyrimidin-4-one?
2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[2,3-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[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126750867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).