N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C28H32F3N5O4 — CID 118173176

IUPACN-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)CC1
InChIInChI=1S/C28H32F3N5O4/c1-27(2,39)19-8-10-35(11-9-19)25(37)15-36-14-18-12-22(23(13-21(18)34-36)40-16-17-6-7-17)33-26(38)20-4-3-5-24(32-20)28(29,30)31/h3-5,12-14,17,19,39H,6-11,15-16H2,1-2H3,(H,33,38)
InChIKeyQWFQBVODEAWDBW-UHFFFAOYSA-N
MW559.59 g/mol
LogP4.50
Rot. Bonds8

About N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173176) has the molecular formula C28H32F3N5O4 and a molecular weight of 559.59 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173176
Molecular FormulaC28H32F3N5O4
Molecular Weight559.59 g/mol
Exact Mass559.24
IUPAC NameN-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)CC1
InChIInChI=1S/C28H32F3N5O4/c1-27(2,39)19-8-10-35(11-9-19)25(37)15-36-14-18-12-22(23(13-21(18)34-36)40-16-17-6-7-17)33-26(38)20-4-3-5-24(32-20)28(29,30)31/h3-5,12-14,17,19,39H,6-11,15-16H2,1-2H3,(H,33,38)
InChIKeyQWFQBVODEAWDBW-UHFFFAOYSA-N
XLogP4.50
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.59
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173176) is N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)CC1.
What is the InChIKey of N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QWFQBVODEAWDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O4/c1-27(2,39)19-8-10-35(11-9-19)25(37)15-36-14-18-12-22(23(13-21(18)34-36)40-16-17-6-7-17)33-26(38)20-4-3-5-24(32-20)28(29,30)31/h3-5,12-14,17,19,39H,6-11,15-16H2,1-2H3,(H,33,38).
What are the key properties of N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 559.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).