3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide

C23H19F3N4O — CID 166630424

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H19F3N4O/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)29-21)13-7-14(8-13)23(31)27-11-17-5-6-28-30-17/h1-6,9-10,13-14,29H,7-8,11H2,(H,27,31)(H,28,30)
InChIKeyCAYDGUCZNLDDOH-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.79
Rot. Bonds5

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 166630424) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
PubChem CID166630424
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H19F3N4O/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)29-21)13-7-14(8-13)23(31)27-11-17-5-6-28-30-17/h1-6,9-10,13-14,29H,7-8,11H2,(H,27,31)(H,28,30)
InChIKeyCAYDGUCZNLDDOH-UHFFFAOYSA-N
XLogP4.79
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide (CID 166630424) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1ccn[nH]1)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is CAYDGUCZNLDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c24-15-3-1-12(2-4-15)21-20(18-9-16(25)10-19(26)22(18)29-21)13-7-14(8-13)23(31)27-11-17-5-6-28-30-17/h1-6,9-10,13-14,29H,7-8,11H2,(H,27,31)(H,28,30).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166630424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).