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

C30H38F3N5O4 — CID 134422872

IUPACN-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC(C)C)cc3n2)CC1
InChIInChI=1S/C30H38F3N5O4/c1-5-11-29(4,41)21-9-12-37(13-10-21)27(39)17-38-16-20-14-24(25(15-23(20)36-38)42-18-19(2)3)35-28(40)22-7-6-8-26(34-22)30(31,32)33/h6-8,14-16,19,21,41H,5,9-13,17-18H2,1-4H3,(H,35,40)
InChIKeyDUXPIOLPMHTIGK-UHFFFAOYSA-N
MW589.66 g/mol
LogP5.53
Rot. Bonds10

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

N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134422872) has the molecular formula C30H38F3N5O4 and a molecular weight of 589.66 g/mol. Its IUPAC name is N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134422872
Molecular FormulaC30H38F3N5O4
Molecular Weight589.66 g/mol
Exact Mass589.29
IUPAC NameN-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC(C)C)cc3n2)CC1
InChIInChI=1S/C30H38F3N5O4/c1-5-11-29(4,41)21-9-12-37(13-10-21)27(39)17-38-16-20-14-24(25(15-23(20)36-38)42-18-19(2)3)35-28(40)22-7-6-8-26(34-22)30(31,32)33/h6-8,14-16,19,21,41H,5,9-13,17-18H2,1-4H3,(H,35,40)
InChIKeyDUXPIOLPMHTIGK-UHFFFAOYSA-N
XLogP5.53
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.66
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 118173098
CID 118173098
CID 118172527
CID 118172527
CID 118172648
CID 118172648
CID 118172658
CID 118172658
CID 118172833
CID 118172833
CID 118172938
CID 118172938
CID 118172992
CID 118172992
CID 118173075
CID 118173075
CID 118173110
CID 118173110
CID 118173136
CID 118173136
CID 118173137
CID 118173137
CID 118182674
CID 118182674

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 134422872) is N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC(C)C)cc3n2)CC1.
What is the InChIKey of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DUXPIOLPMHTIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F3N5O4/c1-5-11-29(4,41)21-9-12-37(13-10-21)27(39)17-38-16-20-14-24(25(15-23(20)36-38)42-18-19(2)3)35-28(40)22-7-6-8-26(34-22)30(31,32)33/h6-8,14-16,19,21,41H,5,9-13,17-18H2,1-4H3,(H,35,40).
What are the key properties of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 589.66 g/mol, XLogP of 5.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134422872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).