N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H15F2N7OS — CID 122638724

IUPACN-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CC(F)(F)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C19H15F2N7OS/c20-19(21)5-12(6-19)28-9-14(16(27-28)13-3-1-2-4-22-13)25-17(29)15-10-30-18(26-15)11-7-23-24-8-11/h1-4,7-10,12H,5-6H2,(H,23,24)(H,25,29)
InChIKeyVWBNRFYRIQGXAW-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122638724) has the molecular formula C19H15F2N7OS and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122638724
Molecular FormulaC19H15F2N7OS
Molecular Weight427.44 g/mol
Exact Mass427.10
IUPAC NameN-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CC(F)(F)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C19H15F2N7OS/c20-19(21)5-12(6-19)28-9-14(16(27-28)13-3-1-2-4-22-13)25-17(29)15-10-30-18(26-15)11-7-23-24-8-11/h1-4,7-10,12H,5-6H2,(H,23,24)(H,25,29)
InChIKeyVWBNRFYRIQGXAW-UHFFFAOYSA-N
XLogP4.01
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide 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 N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122638724) is N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C2CC(F)(F)C2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VWBNRFYRIQGXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7OS/c20-19(21)5-12(6-19)28-9-14(16(27-28)13-3-1-2-4-22-13)25-17(29)15-10-30-18(26-15)11-7-23-24-8-11/h1-4,7-10,12H,5-6H2,(H,23,24)(H,25,29).
What are the key properties of N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluorocyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).