N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide

C30H26F2N4O3 — CID 135215712

IUPACN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
SMILESCOc1ccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cc2[nH]nc3ccc(O)cc23)c(C)c1
InChIInChI=1S/C30H26F2N4O3/c1-17-10-22(39-2)6-7-23(17)24-4-3-9-33-30(24)28(13-18-11-19(31)14-20(32)12-18)34-29(38)16-27-25-15-21(37)5-8-26(25)35-36-27/h3-12,14-15,28,37H,13,16H2,1-2H3,(H,34,38)(H,35,36)
InChIKeyBFMACJGAMYTYNZ-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.57
Rot. Bonds8

About N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide

N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide (PubChem CID 135215712) has the molecular formula C30H26F2N4O3 and a molecular weight of 528.56 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
PubChem CID135215712
Molecular FormulaC30H26F2N4O3
Molecular Weight528.56 g/mol
Exact Mass528.20
IUPAC NameN-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
SMILESCOc1ccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cc2[nH]nc3ccc(O)cc23)c(C)c1
InChIInChI=1S/C30H26F2N4O3/c1-17-10-22(39-2)6-7-23(17)24-4-3-9-33-30(24)28(13-18-11-19(31)14-20(32)12-18)34-29(38)16-27-25-15-21(37)5-8-26(25)35-36-27/h3-12,14-15,28,37H,13,16H2,1-2H3,(H,34,38)(H,35,36)
InChIKeyBFMACJGAMYTYNZ-UHFFFAOYSA-N
XLogP5.57
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide (CID 135215712) is N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-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-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide is COc1ccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cc2[nH]nc3ccc(O)cc23)c(C)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
The InChIKey is BFMACJGAMYTYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O3/c1-17-10-22(39-2)6-7-23(17)24-4-3-9-33-30(24)28(13-18-11-19(31)14-20(32)12-18)34-29(38)16-27-25-15-21(37)5-8-26(25)35-36-27/h3-12,14-15,28,37H,13,16H2,1-2H3,(H,34,38)(H,35,36).
What are the key properties of N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide?
N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide has a molecular weight of 528.56 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide is sourced from PubChem (CID 135215712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).