N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H21F4N5O2 — CID 72700301

IUPACN-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C3(F)CCC(O)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H21F4N5O2/c1-13-17(12-29-31(13)19-5-2-14(10-28-19)22(24,25)26)20(33)30-15-3-4-18(27-11-15)21(23)8-6-16(32)7-9-21/h2-5,10-12,16,32H,6-9H2,1H3,(H,30,33)
InChIKeyGQYPMSXEMKCZMN-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.34
Rot. Bonds4

About N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 72700301) has the molecular formula C22H21F4N5O2 and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID72700301
Molecular FormulaC22H21F4N5O2
Molecular Weight463.44 g/mol
Exact Mass463.16
IUPAC NameN-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C3(F)CCC(O)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H21F4N5O2/c1-13-17(12-29-31(13)19-5-2-14(10-28-19)22(24,25)26)20(33)30-15-3-4-18(27-11-15)21(23)8-6-16(32)7-9-21/h2-5,10-12,16,32H,6-9H2,1H3,(H,30,33)
InChIKeyGQYPMSXEMKCZMN-UHFFFAOYSA-N
XLogP4.34
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-N-(trans-4-hydroxycyclohexyl)-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 68230695
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
US9586948, Example 18
CID 117872469
N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129700
N-[2-(3-hydroxyazetidin-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129715
7-[3-(hydroxymethyl)-1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137658915
N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 118705792
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086728
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086875
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086896
4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225108
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 73442626

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 72700301) is N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(C3(F)CCC(O)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is GQYPMSXEMKCZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N5O2/c1-13-17(12-29-31(13)19-5-2-14(10-28-19)22(24,25)26)20(33)30-15-3-4-18(27-11-15)21(23)8-6-16(32)7-9-21/h2-5,10-12,16,32H,6-9H2,1H3,(H,30,33).
What are the key properties of N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72700301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).