N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide

C32H28Cl2F2N4O4 — CID 169264667

IUPACN-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc(C(C)(C)O)cc(-c3cccc(Cl)c3Cl)n2)cc2cn(C(F)F)nc12
InChIInChI=1S/C32H28Cl2F2N4O4/c1-31(2,42)21-14-24(22-10-7-11-23(33)27(22)34)38-26(15-21)32(43,20-8-5-4-6-9-20)17-37-29(41)18-12-19-16-40(30(35)36)39-28(19)25(13-18)44-3/h4-16,30,42-43H,17H2,1-3H3,(H,37,41)/t32-/m1/s1
InChIKeyJFPRXDULQYDDHZ-JGCGQSQUSA-N
MW641.50 g/mol
LogP6.70
Rot. Bonds9

About N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide

N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide (PubChem CID 169264667) has the molecular formula C32H28Cl2F2N4O4 and a molecular weight of 641.50 g/mol. Its IUPAC name is N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
PubChem CID169264667
Molecular FormulaC32H28Cl2F2N4O4
Molecular Weight641.50 g/mol
Exact Mass640.15
IUPAC NameN-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc(C(C)(C)O)cc(-c3cccc(Cl)c3Cl)n2)cc2cn(C(F)F)nc12
InChIInChI=1S/C32H28Cl2F2N4O4/c1-31(2,42)21-14-24(22-10-7-11-23(33)27(22)34)38-26(15-21)32(43,20-8-5-4-6-9-20)17-37-29(41)18-12-19-16-40(30(35)36)39-28(19)25(13-18)44-3/h4-16,30,42-43H,17H2,1-3H3,(H,37,41)/t32-/m1/s1
InChIKeyJFPRXDULQYDDHZ-JGCGQSQUSA-N
XLogP6.70
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.50
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide (CID 169264667) is N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc(C(C)(C)O)cc(-c3cccc(Cl)c3Cl)n2)cc2cn(C(F)F)nc12.
What is the InChIKey of N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
The InChIKey is JFPRXDULQYDDHZ-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H28Cl2F2N4O4/c1-31(2,42)21-14-24(22-10-7-11-23(33)27(22)34)38-26(15-21)32(43,20-8-5-4-6-9-20)17-37-29(41)18-12-19-16-40(30(35)36)39-28(19)25(13-18)44-3/h4-16,30,42-43H,17H2,1-3H3,(H,37,41)/t32-/m1/s1.
What are the key properties of N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide has a molecular weight of 641.50 g/mol, XLogP of 6.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide is sourced from PubChem (CID 169264667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).