(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide

C24H23F4N3O — CID 162389727

IUPAC(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C1C[C@@H](F)CN1
InChIInChI=1S/C24H23F4N3O/c25-15-3-1-13(2-4-15)22-21(18-7-16(26)8-19(28)23(18)31-22)14-5-12(6-14)10-30-24(32)20-9-17(27)11-29-20/h1-4,7-8,12,14,17,20,29,31H,5-6,9-11H2,(H,30,32)/t12?,14?,17-,20?/m1/s1
InChIKeyUAOGXAJSCWSAOY-UKTDKWROSA-N
MW445.46 g/mol
LogP4.56
Rot. Bonds5

About (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide

(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 162389727) has the molecular formula C24H23F4N3O and a molecular weight of 445.46 g/mol. Its IUPAC name is (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID162389727
Molecular FormulaC24H23F4N3O
Molecular Weight445.46 g/mol
Exact Mass445.18
IUPAC Name(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C1C[C@@H](F)CN1
InChIInChI=1S/C24H23F4N3O/c25-15-3-1-13(2-4-15)22-21(18-7-16(26)8-19(28)23(18)31-22)14-5-12(6-14)10-30-24(32)20-9-17(27)11-29-20/h1-4,7-8,12,14,17,20,29,31H,5-6,9-11H2,(H,30,32)/t12?,14?,17-,20?/m1/s1
InChIKeyUAOGXAJSCWSAOY-UKTDKWROSA-N
XLogP4.56
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea
CID 156816375
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 156816001
(2S)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxypropanamide
CID 162389653
(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 166579586
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxy-3-methylbutanamide
CID 162390081
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxycyclobutyl)urea
CID 166008677
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 156816112
3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 156816020
(2R)-N-[[3-[5,7-difluoro-2-(4-methylphenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 162389513
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(methanesulfonamido)propanamide
CID 166579513
(2S)-2-acetamido-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-hydroxypropanamide
CID 166579563
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 162389556

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide (CID 162389727) is (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide is O=C(NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C1C[C@@H](F)CN1.
What is the InChIKey of (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is UAOGXAJSCWSAOY-UKTDKWROSA-N. The full InChI is InChI=1S/C24H23F4N3O/c25-15-3-1-13(2-4-15)22-21(18-7-16(26)8-19(28)23(18)31-22)14-5-12(6-14)10-30-24(32)20-9-17(27)11-29-20/h1-4,7-8,12,14,17,20,29,31H,5-6,9-11H2,(H,30,32)/t12?,14?,17-,20?/m1/s1.
What are the key properties of (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide?
(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 445.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 162389727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).