N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide

C34H38FN3O — CID 143670831

IUPACN-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide
SMILESCCC1CC1C(CC)(C(=O)NC1CCCC1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C34H38FN3O/c1-3-23-21-30(23)34(4-2,33(39)37-28-12-8-9-13-28)32(24-10-6-5-7-11-24)25-14-19-31-26(20-25)22-36-38(31)29-17-15-27(35)16-18-29/h5-7,10-11,14-20,22-23,28,30,32H,3-4,8-9,12-13,21H2,1-2H3,(H,37,39)
InChIKeyMCCILJYNMSIFCH-UHFFFAOYSA-N
MW523.70 g/mol
LogP7.80
Rot. Bonds9

About N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide

N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide (PubChem CID 143670831) has the molecular formula C34H38FN3O and a molecular weight of 523.70 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide
PubChem CID143670831
Molecular FormulaC34H38FN3O
Molecular Weight523.70 g/mol
Exact Mass523.30
IUPAC NameN-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide
SMILESCCC1CC1C(CC)(C(=O)NC1CCCC1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C34H38FN3O/c1-3-23-21-30(23)34(4-2,33(39)37-28-12-8-9-13-28)32(24-10-6-5-7-11-24)25-14-19-31-26(20-25)22-36-38(31)29-17-15-27(35)16-18-29/h5-7,10-11,14-20,22-23,28,30,32H,3-4,8-9,12-13,21H2,1-2H3,(H,37,39)
InChIKeyMCCILJYNMSIFCH-UHFFFAOYSA-N
XLogP7.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.70
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 71102418
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
2-[[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]carbamoylamino]-2-methyl-N-phenylpropanamide
CID 68707640
1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
CID 59786562
(2S,3R)-1-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]oxy-2-methyl-3-phenylpropane-1-sulfonamide
CID 69097802

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide?
The IUPAC name of N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide (CID 143670831) is N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide is CCC1CC1C(CC)(C(=O)NC1CCCC1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide?
The InChIKey is MCCILJYNMSIFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN3O/c1-3-23-21-30(23)34(4-2,33(39)37-28-12-8-9-13-28)32(24-10-6-5-7-11-24)25-14-19-31-26(20-25)22-36-38(31)29-17-15-27(35)16-18-29/h5-7,10-11,14-20,22-23,28,30,32H,3-4,8-9,12-13,21H2,1-2H3,(H,37,39).
What are the key properties of N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide?
N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide has a molecular weight of 523.70 g/mol, XLogP of 7.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethylcyclopropyl)-2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanamide is sourced from PubChem (CID 143670831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).