7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H14N6OS — CID 137348562

IUPAC7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NC3CC3)cc(-c3sccc3-c3ccc(=O)[nH]c3)nc12
InChIInChI=1S/C19H14N6OS/c20-8-12-10-22-25-16(23-13-2-3-13)7-15(24-19(12)25)18-14(5-6-27-18)11-1-4-17(26)21-9-11/h1,4-7,9-10,13,23H,2-3H2,(H,21,26)
InChIKeyLYVQDPRPJDDETN-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.26
Rot. Bonds4

About 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 137348562) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID137348562
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NC3CC3)cc(-c3sccc3-c3ccc(=O)[nH]c3)nc12
InChIInChI=1S/C19H14N6OS/c20-8-12-10-22-25-16(23-13-2-3-13)7-15(24-19(12)25)18-14(5-6-27-18)11-1-4-17(26)21-9-11/h1,4-7,9-10,13,23H,2-3H2,(H,21,26)
InChIKeyLYVQDPRPJDDETN-UHFFFAOYSA-N
XLogP3.26
TPSA98.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride
CID 175863783
7-(1-adamantylamino)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 59053420
5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 169098927
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314797
5-[(4-aminocyclohexyl)amino]-7-(3-chloro-4-fluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 10250350
7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686472
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11405592
methyl 3-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 58781234
4-[7-(cyclopropylamino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 58313748
3-ethyl-5-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 169098938
7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104195
methyl 3-[7-(cyclopropylamino)-3-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 58313825

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 137348562) is 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(NC3CC3)cc(-c3sccc3-c3ccc(=O)[nH]c3)nc12.
What is the InChIKey of 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LYVQDPRPJDDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c20-8-12-10-22-25-16(23-13-2-3-13)7-15(24-19(12)25)18-14(5-6-27-18)11-1-4-17(26)21-9-11/h1,4-7,9-10,13,23H,2-3H2,(H,21,26).
What are the key properties of 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 374.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137348562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).