2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole

C31H38FN5O — CID 151069200

IUPAC2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole
SMILESCOCCN1CCC(N2CCC(n3ccc(-c4ccc5[nH]c(Cc6ccccc6F)cc5c4)n3)CC2)CC1
InChIInChI=1S/C31H38FN5O/c1-38-19-18-35-13-8-27(9-14-35)36-15-10-28(11-16-36)37-17-12-31(34-37)24-6-7-30-25(20-24)22-26(33-30)21-23-4-2-3-5-29(23)32/h2-7,12,17,20,22,27-28,33H,8-11,13-16,18-19,21H2,1H3
InChIKeyMHTTYAMILIUWTG-UHFFFAOYSA-N
MW515.68 g/mol
LogP5.51
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole

2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole (PubChem CID 151069200) has the molecular formula C31H38FN5O and a molecular weight of 515.68 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole
PubChem CID151069200
Molecular FormulaC31H38FN5O
Molecular Weight515.68 g/mol
Exact Mass515.31
IUPAC Name2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole
SMILESCOCCN1CCC(N2CCC(n3ccc(-c4ccc5[nH]c(Cc6ccccc6F)cc5c4)n3)CC2)CC1
InChIInChI=1S/C31H38FN5O/c1-38-19-18-35-13-8-27(9-14-35)36-15-10-28(11-16-36)37-17-12-31(34-37)24-6-7-30-25(20-24)22-26(33-30)21-23-4-2-3-5-29(23)32/h2-7,12,17,20,22,27-28,33H,8-11,13-16,18-19,21H2,1H3
InChIKeyMHTTYAMILIUWTG-UHFFFAOYSA-N
XLogP5.51
TPSA49.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
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CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
2-[2-[2-[3-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyrazol-1-yl]ethoxy]ethoxy]ethanamine
CID 155529825
1-(1-(3-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 10120530
3-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-1H-indole-5-carbonitrile
CID 10121955
1-(4-(5-methyl-1H-indol-3-yl)piperidin-1-yl)-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
CID 10145669
6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 44606823

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole (CID 151069200) is 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole is COCCN1CCC(N2CCC(n3ccc(-c4ccc5[nH]c(Cc6ccccc6F)cc5c4)n3)CC2)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
The InChIKey is MHTTYAMILIUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN5O/c1-38-19-18-35-13-8-27(9-14-35)36-15-10-28(11-16-36)37-17-12-31(34-37)24-6-7-30-25(20-24)22-26(33-30)21-23-4-2-3-5-29(23)32/h2-7,12,17,20,22,27-28,33H,8-11,13-16,18-19,21H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole has a molecular weight of 515.68 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(2-methoxyethyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole is sourced from PubChem (CID 151069200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).