1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C14H8F4N4O — CID 170631286

IUPAC1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESNC(=O)c1cc2c(ccn2-c2ncc(C(F)(F)F)cc2F)cn1
InChIInChI=1S/C14H8F4N4O/c15-9-3-8(14(16,17)18)6-21-13(9)22-2-1-7-5-20-10(12(19)23)4-11(7)22/h1-6H,(H2,19,23)
InChIKeyCUDLRRAJNYOSHX-UHFFFAOYSA-N
MW324.24 g/mol
LogP2.68
Rot. Bonds2

About 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide

1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 170631286) has the molecular formula C14H8F4N4O and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID170631286
Molecular FormulaC14H8F4N4O
Molecular Weight324.24 g/mol
Exact Mass324.06
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESNC(=O)c1cc2c(ccn2-c2ncc(C(F)(F)F)cc2F)cn1
InChIInChI=1S/C14H8F4N4O/c15-9-3-8(14(16,17)18)6-21-13(9)22-2-1-7-5-20-10(12(19)23)4-11(7)22/h1-6H,(H2,19,23)
InChIKeyCUDLRRAJNYOSHX-UHFFFAOYSA-N
XLogP2.68
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3R,4R)-4-(2-hydroxy-2-methylpropoxy)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 170631318
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 66545196
N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 89152151
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
CID 67467045
1-(trifluoromethyl)pyrazolo[4,3-c]pyridine-6-carboxamide
CID 145225063
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
1-methylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 68813268
2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
CID 175388443
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 171999708
2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118559736

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 170631286) is 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide is NC(=O)c1cc2c(ccn2-c2ncc(C(F)(F)F)cc2F)cn1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is CUDLRRAJNYOSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4O/c15-9-3-8(14(16,17)18)6-21-13(9)22-2-1-7-5-20-10(12(19)23)4-11(7)22/h1-6H,(H2,19,23).
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 170631286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).