3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C21H23N7O2S — CID 169208857

IUPAC3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nn3c(c2C2CC2)C(=O)N(Cc2ncccc2C)CC3)s1
InChIInChI=1S/C21H23N7O2S/c1-3-15-24-25-21(31-15)23-19(29)17-16(13-6-7-13)18-20(30)27(9-10-28(18)26-17)11-14-12(2)5-4-8-22-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,23,25,29)
InChIKeyYJNGBEOKQUTSKO-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.79
Rot. Bonds6

About 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 169208857) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID169208857
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nn3c(c2C2CC2)C(=O)N(Cc2ncccc2C)CC3)s1
InChIInChI=1S/C21H23N7O2S/c1-3-15-24-25-21(31-15)23-19(29)17-16(13-6-7-13)18-20(30)27(9-10-28(18)26-17)11-14-12(2)5-4-8-22-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,23,25,29)
InChIKeyYJNGBEOKQUTSKO-UHFFFAOYSA-N
XLogP2.79
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 169208857) is 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CCc1nnc(NC(=O)c2nn3c(c2C2CC2)C(=O)N(Cc2ncccc2C)CC3)s1.
What is the InChIKey of 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YJNGBEOKQUTSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-3-15-24-25-21(31-15)23-19(29)17-16(13-6-7-13)18-20(30)27(9-10-28(18)26-17)11-14-12(2)5-4-8-22-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,23,25,29).
What are the key properties of 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 169208857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).