2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C17H15N7S — CID 136649046

IUPAC2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2c(c1-c1nc(-c3ccc[nH]3)c(-c3ncn[nH]3)s1)C=CCC2
InChIInChI=1S/C17H15N7S/c1-10-13(12-6-2-3-8-24(12)23-10)17-21-14(11-5-4-7-18-11)15(25-17)16-19-9-20-22-16/h2,4-7,9,18H,3,8H2,1H3,(H,19,20,22)
InChIKeyZBLFZVPBEWOULT-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.51
Rot. Bonds3

About 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 136649046) has the molecular formula C17H15N7S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID136649046
Molecular FormulaC17H15N7S
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC Name2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2c(c1-c1nc(-c3ccc[nH]3)c(-c3ncn[nH]3)s1)C=CCC2
InChIInChI=1S/C17H15N7S/c1-10-13(12-6-2-3-8-24(12)23-10)17-21-14(11-5-4-7-18-11)15(25-17)16-19-9-20-22-16/h2,4-7,9,18H,3,8H2,1H3,(H,19,20,22)
InChIKeyZBLFZVPBEWOULT-UHFFFAOYSA-N
XLogP3.51
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
CID 66768033
3-(3-phenyl-1H-pyrazol-5-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665709
US8754233, 4-Benzothiazol-2-yl-N3-(3-imidazol-1-yl-propyl)-1H-pyrazole-3,5-diamine
CID 66767981
US8927738, 5,8-Dimethyl-2-[2-(2-thiazol-4-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059359
[7-Methyl-6-(2H-pyrazol-3-yl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
CID 89596528
4-benzothiazol-2-yl-N5-(1H-imidazol-2-ylmethylene)-1H-pyrazole-3,5-diamine
CID 136335808
4-Benzothiazol-2-YL-N5-(1H-imidazol-2-ylmethyl)-1H-pyrazole-3,5-diamine
CID 66768219
US20230339900, Example 13
CID 162760856
US20230339900, Example 16
CID 162760939
US20230339900, Example 14
CID 162760855
6-(3-isobutyl-1H-pyrazol-5-yl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16424147
1,3-dimethyl-4-({2-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 56751160

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 136649046) is 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2c(c1-c1nc(-c3ccc[nH]3)c(-c3ncn[nH]3)s1)C=CCC2.
What is the InChIKey of 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is ZBLFZVPBEWOULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S/c1-10-13(12-6-2-3-8-24(12)23-10)17-21-14(11-5-4-7-18-11)15(25-17)16-19-9-20-22-16/h2,4-7,9,18H,3,8H2,1H3,(H,19,20,22).
What are the key properties of 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 349.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 136649046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).