5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid

C20H18N6O3S — CID 155343177

IUPAC5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1
InChIInChI=1S/C20H18N6O3S/c1-12-10-15(19(27)28)24-26(12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,27,28)
InChIKeyNAQGHLWUZANFBU-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.78
Rot. Bonds4

About 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid

5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid (PubChem CID 155343177) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid
PubChem CID155343177
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1
InChIInChI=1S/C20H18N6O3S/c1-12-10-15(19(27)28)24-26(12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,27,28)
InChIKeyNAQGHLWUZANFBU-UHFFFAOYSA-N
XLogP2.78
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
CID 117728730
5-[8-Morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
CID 121596869
5-[8-Morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
CID 121596872
1-(Pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600808
6-(3-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600809
6-(4-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600810
6-(5-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600936
6-(1-Benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600937
6-(5-Acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600938
7-[2-(3-Thienyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10381388
7-[3-(3-Thienyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10448741

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid (CID 155343177) is 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1.
What is the InChIKey of 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is NAQGHLWUZANFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-12-10-15(19(27)28)24-26(12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,27,28).
What are the key properties of 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid?
5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 422.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 155343177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).