(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide

C24H22F3N3O2 — CID 156815840

IUPAC(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H22F3N3O2/c25-15-5-3-12(4-6-15)21-20(17-10-16(26)11-18(27)22(17)29-21)13-8-14(9-13)24(32)30-7-1-2-19(30)23(28)31/h3-6,10-11,13-14,19,29H,1-2,7-9H2,(H2,28,31)/t13?,14?,19-/m1/s1
InChIKeyXRXZBIMQUOJCST-SVGDTCPJSA-N
MW441.45 g/mol
LogP4.22
Rot. Bonds4

About (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide

(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 156815840) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID156815840
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H22F3N3O2/c25-15-5-3-12(4-6-15)21-20(17-10-16(26)11-18(27)22(17)29-21)13-8-14(9-13)24(32)30-7-1-2-19(30)23(28)31/h3-6,10-11,13-14,19,29H,1-2,7-9H2,(H2,28,31)/t13?,14?,19-/m1/s1
InChIKeyXRXZBIMQUOJCST-SVGDTCPJSA-N
XLogP4.22
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide (CID 156815840) is (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is XRXZBIMQUOJCST-SVGDTCPJSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-15-5-3-12(4-6-15)21-20(17-10-16(26)11-18(27)22(17)29-21)13-8-14(9-13)24(32)30-7-1-2-19(30)23(28)31/h3-6,10-11,13-14,19,29H,1-2,7-9H2,(H2,28,31)/t13?,14?,19-/m1/s1.
What are the key properties of (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156815840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).