cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide

About cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide

cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide (PubChem CID 156650825) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide.

Molecular Properties

Compound Name	cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide
PubChem CID	156650825
Molecular Formula	C24H28F4N4O2
Molecular Weight	480.51 g/mol
Exact Mass	480.21
IUPAC Name	cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide
SMILES	C1CCCCC1.Cc1cnc(NC=O)cc1-c1cc(F)c2nn(C)c(C(C)(O)C(F)(F)F)c2c1
InChI	InChI=1S/C18H16F4N4O2.C6H12/c1-9-7-23-14(24-8-27)6-11(9)10-4-12-15(13(19)5-10)25-26(3)16(12)17(2,28)18(20,21)22;1-2-4-6-5-3-1/h4-8,28H,1-3H3,(H,23,24,27);1-6H2
InChIKey	BHGITAMTVQHBKU-UHFFFAOYSA-N
XLogP	5.76
TPSA	80.04 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.51
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide?

The IUPAC name of cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide (CID 156650825) is cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide.

What is the SMILES notation for cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide?

The canonical SMILES for cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide is C1CCCCC1.Cc1cnc(NC=O)cc1-c1cc(F)c2nn(C)c(C(C)(O)C(F)(F)F)c2c1.

What is the InChIKey of cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide?

The InChIKey is BHGITAMTVQHBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2.C6H12/c1-9-7-23-14(24-8-27)6-11(9)10-4-12-15(13(19)5-10)25-26(3)16(12)17(2,28)18(20,21)22;1-2-4-6-5-3-1/h4-8,28H,1-3H3,(H,23,24,27);1-6H2.

What are the key properties of cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide?

cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide has a molecular weight of 480.51 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]formamide is sourced from PubChem (CID 156650825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).