[5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone

C24H16F2N4O2 — CID 118138245

IUPAC[5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H16F2N4O2/c25-19-10-9-17(12-20(19)26)32-16-7-5-15(6-8-16)30-24(27)18(13-28-30)23(31)22-11-14-3-1-2-4-21(14)29-22/h1-13,29H,27H2
InChIKeyLSZIDNNXXZAJDP-UHFFFAOYSA-N
MW430.41 g/mol
LogP5.24
Rot. Bonds5

About [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 118138245) has the molecular formula C24H16F2N4O2 and a molecular weight of 430.41 g/mol. Its IUPAC name is [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID118138245
Molecular FormulaC24H16F2N4O2
Molecular Weight430.41 g/mol
Exact Mass430.12
IUPAC Name[5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H16F2N4O2/c25-19-10-9-17(12-20(19)26)32-16-7-5-15(6-8-16)30-24(27)18(13-28-30)23(31)22-11-14-3-1-2-4-21(14)29-22/h1-13,29H,27H2
InChIKeyLSZIDNNXXZAJDP-UHFFFAOYSA-N
XLogP5.24
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.41
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 118138245) is [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone is Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is LSZIDNNXXZAJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2/c25-19-10-9-17(12-20(19)26)32-16-7-5-15(6-8-16)30-24(27)18(13-28-30)23(31)22-11-14-3-1-2-4-21(14)29-22/h1-13,29H,27H2.
What are the key properties of [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 430.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-(3,4-difluorophenoxy)phenyl]pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 118138245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).