4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C26H26FN7OS — CID 58094914

IUPAC4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H26FN7OS/c1-17-22(21-15-18(9-12-34(21)32-17)35-14-13-33-10-5-2-6-11-33)26-30-23(19-7-3-4-8-20(19)27)24(36-26)25-28-16-29-31-25/h3-4,7-9,12,15-16H,2,5-6,10-11,13-14H2,1H3,(H,28,29,31)
InChIKeyMVTINBJFFLOLCU-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.22
Rot. Bonds7

About 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58094914) has the molecular formula C26H26FN7OS and a molecular weight of 503.61 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58094914
Molecular FormulaC26H26FN7OS
Molecular Weight503.61 g/mol
Exact Mass503.19
IUPAC Name4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H26FN7OS/c1-17-22(21-15-18(9-12-34(21)32-17)35-14-13-33-10-5-2-6-11-33)26-30-23(19-7-3-4-8-20(19)27)24(36-26)25-28-16-29-31-25/h3-4,7-9,12,15-16H,2,5-6,10-11,13-14H2,1H3,(H,28,29,31)
InChIKeyMVTINBJFFLOLCU-UHFFFAOYSA-N
XLogP5.22
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58094914) is 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1.
What is the InChIKey of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is MVTINBJFFLOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7OS/c1-17-22(21-15-18(9-12-34(21)32-17)35-14-13-33-10-5-2-6-11-33)26-30-23(19-7-3-4-8-20(19)27)24(36-26)25-28-16-29-31-25/h3-4,7-9,12,15-16H,2,5-6,10-11,13-14H2,1H3,(H,28,29,31).
What are the key properties of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 503.61 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).