N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide

C38H32F6N10O2 — CID 159806570

IUPACN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.O=C(Cc1ccncc1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/2C19H16F3N5O/c20-19(21,22)16-10-15(13-1-2-13)27(26-16)17-4-3-14(11-24-17)25-18(28)9-12-5-7-23-8-6-12;20-19(21,22)16-10-15(12-4-5-12)27(26-16)17-7-6-14(11-24-17)25-18(28)9-13-3-1-2-8-23-13/h3-8,10-11,13H,1-2,9H2,(H,25,28);1-3,6-8,10-12H,4-5,9H2,(H,25,28)
InChIKeyNKLXUPDJLGDELH-UHFFFAOYSA-N
MW774.73 g/mol
LogP7.48
Rot. Bonds10

About N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide (PubChem CID 159806570) has the molecular formula C38H32F6N10O2 and a molecular weight of 774.73 g/mol. Its IUPAC name is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide
PubChem CID159806570
Molecular FormulaC38H32F6N10O2
Molecular Weight774.73 g/mol
Exact Mass774.26
IUPAC NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.O=C(Cc1ccncc1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/2C19H16F3N5O/c20-19(21,22)16-10-15(13-1-2-13)27(26-16)17-4-3-14(11-24-17)25-18(28)9-12-5-7-23-8-6-12;20-19(21,22)16-10-15(12-4-5-12)27(26-16)17-7-6-14(11-24-17)25-18(28)9-13-3-1-2-8-23-13/h3-8,10-11,13H,1-2,9H2,(H,25,28);1-3,6-8,10-12H,4-5,9H2,(H,25,28)
InChIKeyNKLXUPDJLGDELH-UHFFFAOYSA-N
XLogP7.48
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.73
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide with MolForge

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Related Compounds

N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
N-[6-(3,5-dicyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl]-2,6-difluorobenzamide
CID 51352974
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-2-fluorobenzamide
CID 57518346
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-2,3-difluorobenzamide
CID 57518347
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-2,6-difluorobenzamide
CID 57518348
N-{6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}nicotinamide
CID 57518351
N-{6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}isonicotinamide
CID 57518353
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-3-fluoropyridine-4-carboxamide
CID 57518354
US9834554, Example 12
CID 118173622
trans-N-(8-amino-6-(4-methyl-6-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344852
9-[1-(2,2-Difluorocyclopropanecarbonyl)piperidin-4-yl]-7-methyl-2-[[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]purin-8-one
CID 177381403
US20240043427, Example 127
CID 171368381

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide (CID 159806570) is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide is O=C(Cc1ccccn1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.O=C(Cc1ccncc1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.
What is the InChIKey of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide?
The InChIKey is NKLXUPDJLGDELH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16F3N5O/c20-19(21,22)16-10-15(13-1-2-13)27(26-16)17-4-3-14(11-24-17)25-18(28)9-12-5-7-23-8-6-12;20-19(21,22)16-10-15(12-4-5-12)27(26-16)17-7-6-14(11-24-17)25-18(28)9-13-3-1-2-8-23-13/h3-8,10-11,13H,1-2,9H2,(H,25,28);1-3,6-8,10-12H,4-5,9H2,(H,25,28).
What are the key properties of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide?
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide has a molecular weight of 774.73 g/mol, XLogP of 7.48, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-2-ylacetamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 159806570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).