N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H24F3N5O2 — CID 163676576

IUPACN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O2/c1-21(2,32)13-8-14(9-13)30-11-12-7-18(17(26-3)10-16(12)29-30)28-20(31)15-5-4-6-19(27-15)22(23,24)25/h4-7,10-11,13-14,26,32H,8-9H2,1-3H3,(H,28,31)
InChIKeyJHFBQJXIGZHFRQ-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.47
Rot. Bonds5

About N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 163676576) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID163676576
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O2/c1-21(2,32)13-8-14(9-13)30-11-12-7-18(17(26-3)10-16(12)29-30)28-20(31)15-5-4-6-19(27-15)22(23,24)25/h4-7,10-11,13-14,26,32H,8-9H2,1-3H3,(H,28,31)
InChIKeyJHFBQJXIGZHFRQ-UHFFFAOYSA-N
XLogP4.47
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 163676576) is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CNc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JHFBQJXIGZHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-21(2,32)13-8-14(9-13)30-11-12-7-18(17(26-3)10-16(12)29-30)28-20(31)15-5-4-6-19(27-15)22(23,24)25/h4-7,10-11,13-14,26,32H,8-9H2,1-3H3,(H,28,31).
What are the key properties of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-(methylamino)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 163676576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).