(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

C19H16N6OS — CID 167179453

IUPAC(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1csc(-c2cnn3cccnc23)n1)N1CCC[C@H]1c1cccnc1
InChIInChI=1S/C19H16N6OS/c26-19(24-8-2-5-16(24)13-4-1-6-20-10-13)15-12-27-18(23-15)14-11-22-25-9-3-7-21-17(14)25/h1,3-4,6-7,9-12,16H,2,5,8H2/t16-/m0/s1
InChIKeySQVHHFBNPNXYJY-INIZCTEOSA-N
MW376.45 g/mol
LogP3.23
Rot. Bonds3

About (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 167179453) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID167179453
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1csc(-c2cnn3cccnc23)n1)N1CCC[C@H]1c1cccnc1
InChIInChI=1S/C19H16N6OS/c26-19(24-8-2-5-16(24)13-4-1-6-20-10-13)15-12-27-18(23-15)14-11-22-25-9-3-7-21-17(14)25/h1,3-4,6-7,9-12,16H,2,5,8H2/t16-/m0/s1
InChIKeySQVHHFBNPNXYJY-INIZCTEOSA-N
XLogP3.23
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874
imidazo[1,2-a]pyridin-2-yl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 53193496
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95111843
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 95569194
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729387
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 24658232
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 97201597
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
imidazo[1,2-a]pyridin-6-yl-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97149736
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141

Frequently Asked Questions

What is the IUPAC name of (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 167179453) is (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is O=C(c1csc(-c2cnn3cccnc23)n1)N1CCC[C@H]1c1cccnc1.
What is the InChIKey of (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is SQVHHFBNPNXYJY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N6OS/c26-19(24-8-2-5-16(24)13-4-1-6-20-10-13)15-12-27-18(23-15)14-11-22-25-9-3-7-21-17(14)25/h1,3-4,6-7,9-12,16H,2,5,8H2/t16-/m0/s1.
What are the key properties of (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 376.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 167179453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).