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

C23H24FN7O2S — CID 140749488

IUPAC2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCOC1CCC(n2cc(-n3cc(-c4nc(C(N)=O)cs4)cn3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C23H24FN7O2S/c1-2-33-16-7-5-15(6-8-16)30-12-19(21(29-30)20-17(24)4-3-9-26-20)31-11-14(10-27-31)23-28-18(13-34-23)22(25)32/h3-4,9-13,15-16H,2,5-8H2,1H3,(H2,25,32)
InChIKeyNSSDOQROROXSAM-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.01
Rot. Bonds7

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

2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 140749488) has the molecular formula C23H24FN7O2S and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID140749488
Molecular FormulaC23H24FN7O2S
Molecular Weight481.56 g/mol
Exact Mass481.17
IUPAC Name2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCOC1CCC(n2cc(-n3cc(-c4nc(C(N)=O)cs4)cn3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C23H24FN7O2S/c1-2-33-16-7-5-15(6-8-16)30-12-19(21(29-30)20-17(24)4-3-9-26-20)31-11-14(10-27-31)23-28-18(13-34-23)22(25)32/h3-4,9-13,15-16H,2,5-8H2,1H3,(H2,25,32)
InChIKeyNSSDOQROROXSAM-UHFFFAOYSA-N
XLogP4.01
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 140749488) is 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is CCOC1CCC(n2cc(-n3cc(-c4nc(C(N)=O)cs4)cn3)c(-c3ncccc3F)n2)CC1.
What is the InChIKey of 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is NSSDOQROROXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2S/c1-2-33-16-7-5-15(6-8-16)30-12-19(21(29-30)20-17(24)4-3-9-26-20)31-11-14(10-27-31)23-28-18(13-34-23)22(25)32/h3-4,9-13,15-16H,2,5-8H2,1H3,(H2,25,32).
What are the key properties of 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 140749488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).