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

C25H23F3N4O2 — CID 156815859

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCc1cc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)[nH]n1
InChIInChI=1S/C25H23F3N4O2/c1-34-12-19-10-18(31-32-19)11-29-25(33)15-6-14(7-15)22-20-8-17(27)9-21(28)24(20)30-23(22)13-2-4-16(26)5-3-13/h2-5,8-10,14-15,30H,6-7,11-12H2,1H3,(H,29,33)(H,31,32)
InChIKeyTWNQSTFENRHLNB-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.93
Rot. Bonds7

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 156815859) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide
PubChem CID156815859
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCc1cc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)[nH]n1
InChIInChI=1S/C25H23F3N4O2/c1-34-12-19-10-18(31-32-19)11-29-25(33)15-6-14(7-15)22-20-8-17(27)9-21(28)24(20)30-23(22)13-2-4-16(26)5-3-13/h2-5,8-10,14-15,30H,6-7,11-12H2,1H3,(H,29,33)(H,31,32)
InChIKeyTWNQSTFENRHLNB-UHFFFAOYSA-N
XLogP4.93
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide (CID 156815859) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide is COCc1cc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)[nH]n1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is TWNQSTFENRHLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-34-12-19-10-18(31-32-19)11-29-25(33)15-6-14(7-15)22-20-8-17(27)9-21(28)24(20)30-23(22)13-2-4-16(26)5-3-13/h2-5,8-10,14-15,30H,6-7,11-12H2,1H3,(H,29,33)(H,31,32).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 156815859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).