N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C43H44F3N15O6 — CID 121272112

IUPACN-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCN(C(=O)CNc2cc(-c3cnc(NC(=O)C4CC4)cn3)cnc2C#N)CC1.N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C22H24N8O3.C21H20F3N7O3/c1-14(31)29-4-6-30(7-5-29)21(32)13-26-17-8-16(10-24-18(17)9-23)19-11-27-20(12-25-19)28-22(33)15-2-3-15;22-21(23,24)17-11-31(3-4-34-17)19(32)10-28-14-5-13(7-26-15(14)6-25)16-8-29-18(9-27-16)30-20(33)12-1-2-12/h8,10-12,15,26H,2-7,13H2,1H3,(H,27,28,33);5,7-9,12,17,28H,1-4,10-11H2,(H,29,30,33)
InChIKeyYUGZYTHRLDNRSX-UHFFFAOYSA-N
MW923.92 g/mol
LogP2.82
Rot. Bonds12

About N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272112) has the molecular formula C43H44F3N15O6 and a molecular weight of 923.92 g/mol. Its IUPAC name is N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272112
Molecular FormulaC43H44F3N15O6
Molecular Weight923.92 g/mol
Exact Mass923.36
IUPAC NameN-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCN(C(=O)CNc2cc(-c3cnc(NC(=O)C4CC4)cn3)cnc2C#N)CC1.N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C22H24N8O3.C21H20F3N7O3/c1-14(31)29-4-6-30(7-5-29)21(32)13-26-17-8-16(10-24-18(17)9-23)19-11-27-20(12-25-19)28-22(33)15-2-3-15;22-21(23,24)17-11-31(3-4-34-17)19(32)10-28-14-5-13(7-26-15(14)6-25)16-8-29-18(9-27-16)30-20(33)12-1-2-12/h8,10-12,15,26H,2-7,13H2,1H3,(H,27,28,33);5,7-9,12,17,28H,1-4,10-11H2,(H,29,30,33)
InChIKeyYUGZYTHRLDNRSX-UHFFFAOYSA-N
XLogP2.82
TPSA277.34 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.92
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272112) is N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CC(=O)N1CCN(C(=O)CNc2cc(-c3cnc(NC(=O)C4CC4)cn3)cnc2C#N)CC1.N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is YUGZYTHRLDNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3.C21H20F3N7O3/c1-14(31)29-4-6-30(7-5-29)21(32)13-26-17-8-16(10-24-18(17)9-23)19-11-27-20(12-25-19)28-22(33)15-2-3-15;22-21(23,24)17-11-31(3-4-34-17)19(32)10-28-14-5-13(7-26-15(14)6-25)16-8-29-18(9-27-16)30-20(33)12-1-2-12/h8,10-12,15,26H,2-7,13H2,1H3,(H,27,28,33);5,7-9,12,17,28H,1-4,10-11H2,(H,29,30,33).
What are the key properties of N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 923.92 g/mol, XLogP of 2.82, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).