N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

C25H17F4N5O3 — CID 155841024

IUPACN-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccc(F)c1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H16FN5O.C2HF3O2/c24-18-4-1-5-19(13-18)27-23(30)21-10-12-26-29(21)22-9-8-20-7-6-17(15-28(20)22)16-3-2-11-25-14-16;3-2(4,5)1(6)7/h1-15H,(H,27,30);(H,6,7)
InChIKeyPRXJXRBKYOHOFV-UHFFFAOYSA-N
MW511.44 g/mol
LogP5.21
Rot. Bonds4

About N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155841024) has the molecular formula C25H17F4N5O3 and a molecular weight of 511.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155841024
Molecular FormulaC25H17F4N5O3
Molecular Weight511.44 g/mol
Exact Mass511.13
IUPAC NameN-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccc(F)c1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H16FN5O.C2HF3O2/c24-18-4-1-5-19(13-18)27-23(30)21-10-12-26-29(21)22-9-8-20-7-6-17(15-28(20)22)16-3-2-11-25-14-16;3-2(4,5)1(6)7/h1-15H,(H,27,30);(H,6,7)
InChIKeyPRXJXRBKYOHOFV-UHFFFAOYSA-N
XLogP5.21
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.44
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155841024) is N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cccc(F)c1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PRXJXRBKYOHOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O.C2HF3O2/c24-18-4-1-5-19(13-18)27-23(30)21-10-12-26-29(21)22-9-8-20-7-6-17(15-28(20)22)16-3-2-11-25-14-16;3-2(4,5)1(6)7/h1-15H,(H,27,30);(H,6,7).
What are the key properties of N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 511.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).