5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole

C19H20F2N4S — CID 56751406

IUPAC5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
SMILESCCc1nc(C)sc1CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H20F2N4S/c1-3-16-18(26-11(2)22-16)10-25-7-6-17-13(9-25)19(24-23-17)12-4-5-14(20)15(21)8-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyQLWNZIPMHDUQSU-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.24
Rot. Bonds4

About 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole

5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole (PubChem CID 56751406) has the molecular formula C19H20F2N4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
PubChem CID56751406
Molecular FormulaC19H20F2N4S
Molecular Weight374.46 g/mol
Exact Mass374.14
IUPAC Name5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
SMILESCCc1nc(C)sc1CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C19H20F2N4S/c1-3-16-18(26-11(2)22-16)10-25-7-6-17-13(9-25)19(24-23-17)12-4-5-14(20)15(21)8-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyQLWNZIPMHDUQSU-UHFFFAOYSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole (CID 56751406) is 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole is CCc1nc(C)sc1CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole?
The InChIKey is QLWNZIPMHDUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4S/c1-3-16-18(26-11(2)22-16)10-25-7-6-17-13(9-25)19(24-23-17)12-4-5-14(20)15(21)8-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,23,24).
What are the key properties of 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole?
5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole has a molecular weight of 374.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 56751406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).