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

C32H40FN5O — CID 152636621

IUPAC2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole
SMILESCOCCCN1CCC(N2CCC(n3ccc(-c4ccc5[nH]c(Cc6ccccc6F)cc5c4)n3)CC2)CC1
InChIInChI=1S/C32H40FN5O/c1-39-20-4-14-36-15-9-28(10-16-36)37-17-11-29(12-18-37)38-19-13-32(35-38)25-7-8-31-26(21-25)23-27(34-31)22-24-5-2-3-6-30(24)33/h2-3,5-8,13,19,21,23,28-29,34H,4,9-12,14-18,20,22H2,1H3
InChIKeyZEQZCROSBIAVQN-UHFFFAOYSA-N
MW529.70 g/mol
LogP5.90
Rot. Bonds9

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

2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole (PubChem CID 152636621) has the molecular formula C32H40FN5O and a molecular weight of 529.70 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole
PubChem CID152636621
Molecular FormulaC32H40FN5O
Molecular Weight529.70 g/mol
Exact Mass529.32
IUPAC Name2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole
SMILESCOCCCN1CCC(N2CCC(n3ccc(-c4ccc5[nH]c(Cc6ccccc6F)cc5c4)n3)CC2)CC1
InChIInChI=1S/C32H40FN5O/c1-39-20-4-14-36-15-9-28(10-16-36)37-17-11-29(12-18-37)38-19-13-32(35-38)25-7-8-31-26(21-25)23-27(34-31)22-24-5-2-3-6-30(24)33/h2-3,5-8,13,19,21,23,28-29,34H,4,9-12,14-18,20,22H2,1H3
InChIKeyZEQZCROSBIAVQN-UHFFFAOYSA-N
XLogP5.90
TPSA49.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.70
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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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-(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
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CID 44419952
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
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1-[3-(1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
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3,5-difluoro-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole (CID 152636621) is 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)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-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole is COCCCN1CCC(N2CCC(n3ccc(-c4ccc5[nH]c(Cc6ccccc6F)cc5c4)n3)CC2)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
The InChIKey is ZEQZCROSBIAVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN5O/c1-39-20-4-14-36-15-9-28(10-16-36)37-17-11-29(12-18-37)38-19-13-32(35-38)25-7-8-31-26(21-25)23-27(34-31)22-24-5-2-3-6-30(24)33/h2-3,5-8,13,19,21,23,28-29,34H,4,9-12,14-18,20,22H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole?
2-[(2-fluorophenyl)methyl]-5-[1-[1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole has a molecular weight of 529.70 g/mol, XLogP of 5.90, 9 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-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-3-yl]-1H-indole is sourced from PubChem (CID 152636621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).