N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide

C25H34FN5O2 — CID 139324973

IUPACN-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide
SMILESCC(=O)NCC(C)[C@@H](C)Oc1cc(-c2cnn(C3CCC(C)(F)C3)c2)cc2nn(C)c(C)c12
InChIInChI=1S/C25H34FN5O2/c1-15(12-27-18(4)32)17(3)33-23-10-19(9-22-24(23)16(2)30(6)29-22)20-13-28-31(14-20)21-7-8-25(5,26)11-21/h9-10,13-15,17,21H,7-8,11-12H2,1-6H3,(H,27,32)/t15?,17-,21?,25?/m1/s1
InChIKeyCCUXQKJAVKQJRP-ZBGHIQAMSA-N
MW455.58 g/mol
LogP4.74
Rot. Bonds7

About N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide

N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide (PubChem CID 139324973) has the molecular formula C25H34FN5O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide
PubChem CID139324973
Molecular FormulaC25H34FN5O2
Molecular Weight455.58 g/mol
Exact Mass455.27
IUPAC NameN-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide
SMILESCC(=O)NCC(C)[C@@H](C)Oc1cc(-c2cnn(C3CCC(C)(F)C3)c2)cc2nn(C)c(C)c12
InChIInChI=1S/C25H34FN5O2/c1-15(12-27-18(4)32)17(3)33-23-10-19(9-22-24(23)16(2)30(6)29-22)20-13-28-31(14-20)21-7-8-25(5,26)11-21/h9-10,13-15,17,21H,7-8,11-12H2,1-6H3,(H,27,32)/t15?,17-,21?,25?/m1/s1
InChIKeyCCUXQKJAVKQJRP-ZBGHIQAMSA-N
XLogP4.74
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide?
The IUPAC name of N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide (CID 139324973) is N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide.
What is the SMILES notation for N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide?
The canonical SMILES for N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide is CC(=O)NCC(C)[C@@H](C)Oc1cc(-c2cnn(C3CCC(C)(F)C3)c2)cc2nn(C)c(C)c12.
What is the InChIKey of N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide?
The InChIKey is CCUXQKJAVKQJRP-ZBGHIQAMSA-N. The full InChI is InChI=1S/C25H34FN5O2/c1-15(12-27-18(4)32)17(3)33-23-10-19(9-22-24(23)16(2)30(6)29-22)20-13-28-31(14-20)21-7-8-25(5,26)11-21/h9-10,13-15,17,21H,7-8,11-12H2,1-6H3,(H,27,32)/t15?,17-,21?,25?/m1/s1.
What are the key properties of N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide?
N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide has a molecular weight of 455.58 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[6-[1-(3-fluoro-3-methylcyclopentyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxy-2-methylbutyl]acetamide is sourced from PubChem (CID 139324973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).