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

C23H24FN7O2S — CID 122638645

IUPACN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C23H24FN7O2S/c1-2-33-16-7-5-15(6-8-16)31-12-18(21(30-31)20-17(24)4-3-9-25-20)28-22(32)19-13-34-23(29-19)14-10-26-27-11-14/h3-4,9-13,15-16H,2,5-8H2,1H3,(H,26,27)(H,28,32)
InChIKeyPRJMTLYKIFRHJP-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.70
Rot. Bonds7

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

N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122638645) has the molecular formula C23H24FN7O2S and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122638645
Molecular FormulaC23H24FN7O2S
Molecular Weight481.56 g/mol
Exact Mass481.17
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C23H24FN7O2S/c1-2-33-16-7-5-15(6-8-16)31-12-18(21(30-31)20-17(24)4-3-9-25-20)28-22(32)19-13-34-23(29-19)14-10-26-27-11-14/h3-4,9-13,15-16H,2,5-8H2,1H3,(H,26,27)(H,28,32)
InChIKeyPRJMTLYKIFRHJP-UHFFFAOYSA-N
XLogP4.70
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122638645) is N-[1-(4-ethoxycyclohexyl)-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-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCOC1CCC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ncccc3F)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PRJMTLYKIFRHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2S/c1-2-33-16-7-5-15(6-8-16)31-12-18(21(30-31)20-17(24)4-3-9-25-20)28-22(32)19-13-34-23(29-19)14-10-26-27-11-14/h3-4,9-13,15-16H,2,5-8H2,1H3,(H,26,27)(H,28,32).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).