7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H21N5O2S — CID 53040519

IUPAC7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C22H21N5O2S/c1-15-13-19(24-21-14-18(25-27(15)21)20-3-2-12-30-20)22(28)23-16-4-6-17(7-5-16)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H,23,28)
InChIKeyGGSOCRVABSTDGV-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.86
Rot. Bonds4

About 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040519) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040519
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C22H21N5O2S/c1-15-13-19(24-21-14-18(25-27(15)21)20-3-2-12-30-20)22(28)23-16-4-6-17(7-5-16)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H,23,28)
InChIKeyGGSOCRVABSTDGV-UHFFFAOYSA-N
XLogP3.86
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477
N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040480
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
(7-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-morpholin-4-ylmethanone
CID 53040628
N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 112807335
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 75216468
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55905280

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040519) is 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is GGSOCRVABSTDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-15-13-19(24-21-14-18(25-27(15)21)20-3-2-12-30-20)22(28)23-16-4-6-17(7-5-16)26-8-10-29-11-9-26/h2-7,12-14H,8-11H2,1H3,(H,23,28).
What are the key properties of 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).