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

C32H35F3N6O4 — CID 134422811

IUPACN-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCc4ccccn4)cc3n2)CC1
InChIInChI=1S/C32H35F3N6O4/c1-3-12-31(2,44)22-10-14-40(15-11-22)29(42)19-41-18-21-16-26(38-30(43)24-8-6-9-28(37-24)32(33,34)35)27(17-25(21)39-41)45-20-23-7-4-5-13-36-23/h4-9,13,16-18,22,44H,3,10-12,14-15,19-20H2,1-2H3,(H,38,43)
InChIKeyCLSUGYHDQWIAMO-UHFFFAOYSA-N
MW624.66 g/mol
LogP5.47
Rot. Bonds10

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

N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134422811) has the molecular formula C32H35F3N6O4 and a molecular weight of 624.66 g/mol. Its IUPAC name is N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)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-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134422811
Molecular FormulaC32H35F3N6O4
Molecular Weight624.66 g/mol
Exact Mass624.27
IUPAC NameN-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCC(C)(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCc4ccccn4)cc3n2)CC1
InChIInChI=1S/C32H35F3N6O4/c1-3-12-31(2,44)22-10-14-40(15-11-22)29(42)19-41-18-21-16-26(38-30(43)24-8-6-9-28(37-24)32(33,34)35)27(17-25(21)39-41)45-20-23-7-4-5-13-36-23/h4-9,13,16-18,22,44H,3,10-12,14-15,19-20H2,1-2H3,(H,38,43)
InChIKeyCLSUGYHDQWIAMO-UHFFFAOYSA-N
XLogP5.47
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.66
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)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-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 134422811) is N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)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-(pyridin-2-ylmethoxy)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-(pyridin-2-ylmethoxy)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(OCc4ccccn4)cc3n2)CC1.
What is the InChIKey of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CLSUGYHDQWIAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O4/c1-3-12-31(2,44)22-10-14-40(15-11-22)29(42)19-41-18-21-16-26(38-30(43)24-8-6-9-28(37-24)32(33,34)35)27(17-25(21)39-41)45-20-23-7-4-5-13-36-23/h4-9,13,16-18,22,44H,3,10-12,14-15,19-20H2,1-2H3,(H,38,43).
What are the key properties of N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 624.66 g/mol, XLogP of 5.47, 10 rotatable bonds, 2 hydrogen bond donors, and 8 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-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134422811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).