3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide

C20H20F3N7O — CID 146558901

IUPAC3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(-n2ccc(C(F)(F)F)n2)nc1Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H20F3N7O/c21-20(22,23)15-7-10-30(29-15)16-11-26-17(18(24)31)19(28-16)27-14-3-1-12(2-4-14)13-5-8-25-9-6-13/h1-4,7,10-11,13,25H,5-6,8-9H2,(H2,24,31)(H,27,28)
InChIKeyRCRMPNGZHHPWMQ-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.99
Rot. Bonds5

About 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide

3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide (PubChem CID 146558901) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide
PubChem CID146558901
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC Name3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(-n2ccc(C(F)(F)F)n2)nc1Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C20H20F3N7O/c21-20(22,23)15-7-10-30(29-15)16-11-26-17(18(24)31)19(28-16)27-14-3-1-12(2-4-14)13-5-8-25-9-6-13/h1-4,7,10-11,13,25H,5-6,8-9H2,(H2,24,31)(H,27,28)
InChIKeyRCRMPNGZHHPWMQ-UHFFFAOYSA-N
XLogP2.99
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
CID 118114824
5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide
CID 171108232
3-(2-fluoro-4-piperidin-4-ylanilino)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 138516087
4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
CID 146485007
5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-4-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
CID 165177582
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
3-[3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-5-(4-piperidin-4-ylanilino)-1,2,4-triazine-6-carboxamide
CID 166452612
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
5-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxamide
CID 114090520
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide (CID 146558901) is 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide is NC(=O)c1ncc(-n2ccc(C(F)(F)F)n2)nc1Nc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide?
The InChIKey is RCRMPNGZHHPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O/c21-20(22,23)15-7-10-30(29-15)16-11-26-17(18(24)31)19(28-16)27-14-3-1-12(2-4-14)13-5-8-25-9-6-13/h1-4,7,10-11,13,25H,5-6,8-9H2,(H2,24,31)(H,27,28).
What are the key properties of 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide?
3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylanilino)-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).