3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide

C25H25ClF3N7O2 — CID 59708580

IUPAC3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(CNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)nc1C(=O)NC1CCCNC1
InChIInChI=1S/C25H25ClF3N7O2/c26-19-7-6-16(10-18(19)25(27,28)29)35-24(38)33-11-14-3-1-4-15(9-14)20-13-32-22(30)21(36-20)23(37)34-17-5-2-8-31-12-17/h1,3-4,6-7,9-10,13,17,31H,2,5,8,11-12H2,(H2,30,32)(H,34,37)(H2,33,35,38)
InChIKeyJARLJIDDGNFZAH-UHFFFAOYSA-N
MW547.97 g/mol
LogP4.20
Rot. Bonds6

About 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide

3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide (PubChem CID 59708580) has the molecular formula C25H25ClF3N7O2 and a molecular weight of 547.97 g/mol. Its IUPAC name is 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide
PubChem CID59708580
Molecular FormulaC25H25ClF3N7O2
Molecular Weight547.97 g/mol
Exact Mass547.17
IUPAC Name3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(CNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)nc1C(=O)NC1CCCNC1
InChIInChI=1S/C25H25ClF3N7O2/c26-19-7-6-16(10-18(19)25(27,28)29)35-24(38)33-11-14-3-1-4-15(9-14)20-13-32-22(30)21(36-20)23(37)34-17-5-2-8-31-12-17/h1,3-4,6-7,9-10,13,17,31H,2,5,8,11-12H2,(H2,30,32)(H,34,37)(H2,33,35,38)
InChIKeyJARLJIDDGNFZAH-UHFFFAOYSA-N
XLogP4.20
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.97
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methylnicotinamide
CID 50898448
3-amino-N-phenyl-6-(m-tolyl)pyrazine-2-carboxamide
CID 52937362
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-phenylpyrazine-2-carboxamide
CID 68187445
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[4-chloro-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873351
N-(4-chloro-3-(trifluoromethyl)phenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439449
3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
CID 52937258
N-((2-Pyrrolidin-1-yl-pyridin-3-yl)methyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide
CID 52942340
3-amino-6-(3-chlorophenyl)-N-cyclopentylpyrazine-2-carboxamide
CID 85995176
3-amino-N-butan-2-yl-6-(3-chlorophenyl)pyrazine-2-carboxamide
CID 122185565
3-amino-N-butan-2-yl-6-(4-chlorophenyl)pyrazine-2-carboxamide
CID 122185574
3-amino-N-pentan-3-yl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122185588

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide (CID 59708580) is 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2cccc(CNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)nc1C(=O)NC1CCCNC1.
What is the InChIKey of 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide?
The InChIKey is JARLJIDDGNFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N7O2/c26-19-7-6-16(10-18(19)25(27,28)29)35-24(38)33-11-14-3-1-4-15(9-14)20-13-32-22(30)21(36-20)23(37)34-17-5-2-8-31-12-17/h1,3-4,6-7,9-10,13,17,31H,2,5,8,11-12H2,(H2,30,32)(H,34,37)(H2,33,35,38).
What are the key properties of 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide?
3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide has a molecular weight of 547.97 g/mol, XLogP of 4.20, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 59708580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).