N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H18FN5O2S — CID 24626426

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H18FN5O2S/c1-11-16-8-14(9-22-19(16)26(3)25-11)24-20(27)18-12(2)23-17(29-18)10-28-15-6-4-13(21)5-7-15/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyMBJAMUZBURICGW-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.01
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24626426) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24626426
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H18FN5O2S/c1-11-16-8-14(9-22-19(16)26(3)25-11)24-20(27)18-12(2)23-17(29-18)10-28-15-6-4-13(21)5-7-15/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyMBJAMUZBURICGW-UHFFFAOYSA-N
XLogP4.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24626426) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MBJAMUZBURICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-11-16-8-14(9-22-19(16)26(3)25-11)24-20(27)18-12(2)23-17(29-18)10-28-15-6-4-13(21)5-7-15/h4-9H,10H2,1-3H3,(H,24,27).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24626426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).