1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide

C20H21F4N5O2 — CID 170693360

IUPAC1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
SMILESNC(=O)C1C=NC=C(C(F)(F)F)N1c1cc2cn(C3CCC(CO)CC3)nc2cc1F
InChIInChI=1S/C20H21F4N5O2/c21-14-6-15-12(9-28(27-15)13-3-1-11(10-30)2-4-13)5-16(14)29-17(19(25)31)7-26-8-18(29)20(22,23)24/h5-9,11,13,17,30H,1-4,10H2,(H2,25,31)
InChIKeyNAIOCDBOSGMIDT-UHFFFAOYSA-N
MW439.41 g/mol
LogP3.05
Rot. Bonds4

About 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide

1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide (PubChem CID 170693360) has the molecular formula C20H21F4N5O2 and a molecular weight of 439.41 g/mol. Its IUPAC name is 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
PubChem CID170693360
Molecular FormulaC20H21F4N5O2
Molecular Weight439.41 g/mol
Exact Mass439.16
IUPAC Name1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
SMILESNC(=O)C1C=NC=C(C(F)(F)F)N1c1cc2cn(C3CCC(CO)CC3)nc2cc1F
InChIInChI=1S/C20H21F4N5O2/c21-14-6-15-12(9-28(27-15)13-3-1-11(10-30)2-4-13)5-16(14)29-17(19(25)31)7-26-8-18(29)20(22,23)24/h5-9,11,13,17,30H,1-4,10H2,(H2,25,31)
InChIKeyNAIOCDBOSGMIDT-UHFFFAOYSA-N
XLogP3.05
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
CID 169096648
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
CID 155438131
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
CID 155437708
[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 164567417
[4-(5-amino-6-methylindazol-2-yl)cyclohexyl]methanol
CID 170379953
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 155437771
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine
CID 171469169
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
CID 170693376
N-[2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163399893
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155437655

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide?
The IUPAC name of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide (CID 170693360) is 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide?
The canonical SMILES for 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide is NC(=O)C1C=NC=C(C(F)(F)F)N1c1cc2cn(C3CCC(CO)CC3)nc2cc1F.
What is the InChIKey of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide?
The InChIKey is NAIOCDBOSGMIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O2/c21-14-6-15-12(9-28(27-15)13-3-1-11(10-30)2-4-13)5-16(14)29-17(19(25)31)7-26-8-18(29)20(22,23)24/h5-9,11,13,17,30H,1-4,10H2,(H2,25,31).
What are the key properties of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide?
1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide has a molecular weight of 439.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 170693360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).