1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine

C35H34FN5O — CID 145248212

IUPAC1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4nn(C)c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C35H34FN5O/c1-41-34-11-10-24(26-12-23(20-38-21-26)19-37-18-22-6-3-4-7-22)15-31(34)35(40-41)33-17-30-29(8-5-9-32(30)39-33)25-13-27(36)16-28(14-25)42-2/h5,8-17,20-22,37,39H,3-4,6-7,18-19H2,1-2H3
InChIKeyKKXYBGAONCOMHR-UHFFFAOYSA-N
MW559.69 g/mol
LogP7.88
Rot. Bonds8

About 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 145248212) has the molecular formula C35H34FN5O and a molecular weight of 559.69 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID145248212
Molecular FormulaC35H34FN5O
Molecular Weight559.69 g/mol
Exact Mass559.27
IUPAC Name1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4nn(C)c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C35H34FN5O/c1-41-34-11-10-24(26-12-23(20-38-21-26)19-37-18-22-6-3-4-7-22)15-31(34)35(40-41)33-17-30-29(8-5-9-32(30)39-33)25-13-27(36)16-28(14-25)42-2/h5,8-17,20-22,37,39H,3-4,6-7,18-19H2,1-2H3
InChIKeyKKXYBGAONCOMHR-UHFFFAOYSA-N
XLogP7.88
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.69
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

5-Methoxy-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl]-1H-indole
CID 9910468
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
2-[(1-Ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 16187798
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
1-(3,4-dimethylphenyl)-8-methoxy-3-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990592
6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766645
6-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766646
N-(1H-indazol-4-yl)-6-(3-methoxyphenyl)quinolin-4-amine
CID 86766657
4-(4-{3-[(dimethylamino) methyl]-5-fluorophenoxy} piperidin-1-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]butanenitrile
CID 126578278
US10435405, Example 138
CID 134327945
US10435405, Example 139
CID 134327977
US10435405, Example 207
CID 134328075

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 145248212) is 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine is COc1cc(F)cc(-c2cccc3[nH]c(-c4nn(C)c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is KKXYBGAONCOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN5O/c1-41-34-11-10-24(26-12-23(20-38-21-26)19-37-18-22-6-3-4-7-22)15-31(34)35(40-41)33-17-30-29(8-5-9-32(30)39-33)25-13-27(36)16-28(14-25)42-2/h5,8-17,20-22,37,39H,3-4,6-7,18-19H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 559.69 g/mol, XLogP of 7.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 145248212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).