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

C29H29F3N6O4 — CID 134422812

IUPACN-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCc4ccccn4)cc3n2)CC1
InChIInChI=1S/C29H29F3N6O4/c1-18(39)19-8-11-37(12-9-19)27(40)16-38-15-20-13-24(35-28(41)22-6-4-7-26(34-22)29(30,31)32)25(14-23(20)36-38)42-17-21-5-2-3-10-33-21/h2-7,10,13-15,18-19,39H,8-9,11-12,16-17H2,1H3,(H,35,41)
InChIKeyDUVLRXWPHCWLQE-UHFFFAOYSA-N
MW582.58 g/mol
LogP4.30
Rot. Bonds8

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

N-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134422812) has the molecular formula C29H29F3N6O4 and a molecular weight of 582.58 g/mol. Its IUPAC name is N-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134422812
Molecular FormulaC29H29F3N6O4
Molecular Weight582.58 g/mol
Exact Mass582.22
IUPAC NameN-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(O)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCc4ccccn4)cc3n2)CC1
InChIInChI=1S/C29H29F3N6O4/c1-18(39)19-8-11-37(12-9-19)27(40)16-38-15-20-13-24(35-28(41)22-6-4-7-26(34-22)29(30,31)32)25(14-23(20)36-38)42-17-21-5-2-3-10-33-21/h2-7,10,13-15,18-19,39H,8-9,11-12,16-17H2,1H3,(H,35,41)
InChIKeyDUVLRXWPHCWLQE-UHFFFAOYSA-N
XLogP4.30
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.58
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(1-hydroxyethyl)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-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 134422812) is N-[2-[2-[4-(1-hydroxyethyl)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-(1-hydroxyethyl)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-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(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-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DUVLRXWPHCWLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O4/c1-18(39)19-8-11-37(12-9-19)27(40)16-38-15-20-13-24(35-28(41)22-6-4-7-26(34-22)29(30,31)32)25(14-23(20)36-38)42-17-21-5-2-3-10-33-21/h2-7,10,13-15,18-19,39H,8-9,11-12,16-17H2,1H3,(H,35,41).
What are the key properties of N-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 582.58 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-6-(pyridin-2-ylmethoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134422812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).