1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine

C34H37ClFN5 — CID 134448579

IUPAC1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine
SMILESC=C(c1cnn(-c2ccc(Cc3cccc(Cl)c3)cc2)c1N)C1Cc2cc(C3CCN(C(C)C)CC3)c(F)cc2N1
InChIInChI=1S/C34H37ClFN5/c1-21(2)40-13-11-25(12-14-40)29-17-26-18-32(39-33(26)19-31(29)36)22(3)30-20-38-41(34(30)37)28-9-7-23(8-10-28)15-24-5-4-6-27(35)16-24/h4-10,16-17,19-21,25,32,39H,3,11-15,18,37H2,1-2H3
InChIKeyWNCXLBWLVGLPHG-UHFFFAOYSA-N
MW570.16 g/mol
LogP7.48
Rot. Bonds7

About 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine

1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine (PubChem CID 134448579) has the molecular formula C34H37ClFN5 and a molecular weight of 570.16 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine
PubChem CID134448579
Molecular FormulaC34H37ClFN5
Molecular Weight570.16 g/mol
Exact Mass569.27
IUPAC Name1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine
SMILESC=C(c1cnn(-c2ccc(Cc3cccc(Cl)c3)cc2)c1N)C1Cc2cc(C3CCN(C(C)C)CC3)c(F)cc2N1
InChIInChI=1S/C34H37ClFN5/c1-21(2)40-13-11-25(12-14-40)29-17-26-18-32(39-33(26)19-31(29)36)22(3)30-20-38-41(34(30)37)28-9-7-23(8-10-28)15-24-5-4-6-27(35)16-24/h4-10,16-17,19-21,25,32,39H,3,11-15,18,37H2,1-2H3
InChIKeyWNCXLBWLVGLPHG-UHFFFAOYSA-N
XLogP7.48
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.16
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine?
The IUPAC name of 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine (CID 134448579) is 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine is C=C(c1cnn(-c2ccc(Cc3cccc(Cl)c3)cc2)c1N)C1Cc2cc(C3CCN(C(C)C)CC3)c(F)cc2N1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine?
The InChIKey is WNCXLBWLVGLPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClFN5/c1-21(2)40-13-11-25(12-14-40)29-17-26-18-32(39-33(26)19-31(29)36)22(3)30-20-38-41(34(30)37)28-9-7-23(8-10-28)15-24-5-4-6-27(35)16-24/h4-10,16-17,19-21,25,32,39H,3,11-15,18,37H2,1-2H3.
What are the key properties of 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine?
1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine has a molecular weight of 570.16 g/mol, XLogP of 7.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methyl]phenyl]-4-[1-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-yl]ethenyl]pyrazol-5-amine is sourced from PubChem (CID 134448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).