N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H16FN7OS — CID 145176661

IUPACN-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CCC2)nc1-c1ncccc1F)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C19H16FN7OS/c20-13-5-2-6-21-16(13)17-14(9-27(26-17)12-3-1-4-12)24-18(28)15-10-29-19(25-15)11-7-22-23-8-11/h2,5-10,12H,1,3-4H2,(H,22,23)(H,24,28)
InChIKeyMKSJTSRCCNIRCA-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.91
Rot. Bonds5

About N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 145176661) has the molecular formula C19H16FN7OS and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID145176661
Molecular FormulaC19H16FN7OS
Molecular Weight409.45 g/mol
Exact Mass409.11
IUPAC NameN-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C2CCC2)nc1-c1ncccc1F)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C19H16FN7OS/c20-13-5-2-6-21-16(13)17-14(9-27(26-17)12-3-1-4-12)24-18(28)15-10-29-19(25-15)11-7-22-23-8-11/h2,5-10,12H,1,3-4H2,(H,22,23)(H,24,28)
InChIKeyMKSJTSRCCNIRCA-UHFFFAOYSA-N
XLogP3.91
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 145176661) is N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C2CCC2)nc1-c1ncccc1F)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MKSJTSRCCNIRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7OS/c20-13-5-2-6-21-16(13)17-14(9-27(26-17)12-3-1-4-12)24-18(28)15-10-29-19(25-15)11-7-22-23-8-11/h2,5-10,12H,1,3-4H2,(H,22,23)(H,24,28).
What are the key properties of N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 145176661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).