N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide

C29H24F2N4O2 — CID 135215711

IUPACN-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
SMILESCc1ccccc1-c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cc1[nH]nc2ccc(O)cc12
InChIInChI=1S/C29H24F2N4O2/c1-17-5-2-3-6-22(17)23-7-4-10-32-29(23)27(13-18-11-19(30)14-20(31)12-18)33-28(37)16-26-24-15-21(36)8-9-25(24)34-35-26/h2-12,14-15,27,36H,13,16H2,1H3,(H,33,37)(H,34,35)
InChIKeyKXXOHOPQKVPSEC-UHFFFAOYSA-N
MW498.53 g/mol
LogP5.56
Rot. Bonds7

About N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide

N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide (PubChem CID 135215711) has the molecular formula C29H24F2N4O2 and a molecular weight of 498.53 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
PubChem CID135215711
Molecular FormulaC29H24F2N4O2
Molecular Weight498.53 g/mol
Exact Mass498.19
IUPAC NameN-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
SMILESCc1ccccc1-c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cc1[nH]nc2ccc(O)cc12
InChIInChI=1S/C29H24F2N4O2/c1-17-5-2-3-6-22(17)23-7-4-10-32-29(23)27(13-18-11-19(30)14-20(31)12-18)33-28(37)16-26-24-15-21(36)8-9-25(24)34-35-26/h2-12,14-15,27,36H,13,16H2,1H3,(H,33,37)(H,34,35)
InChIKeyKXXOHOPQKVPSEC-UHFFFAOYSA-N
XLogP5.56
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide (CID 135215711) is N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide is Cc1ccccc1-c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cc1[nH]nc2ccc(O)cc12.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
The InChIKey is KXXOHOPQKVPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O2/c1-17-5-2-3-6-22(17)23-7-4-10-32-29(23)27(13-18-11-19(30)14-20(31)12-18)33-28(37)16-26-24-15-21(36)8-9-25(24)34-35-26/h2-12,14-15,27,36H,13,16H2,1H3,(H,33,37)(H,34,35).
What are the key properties of N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide has a molecular weight of 498.53 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide is sourced from PubChem (CID 135215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).