N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide

C30H30ClF3N8O5 — CID 172629361

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)c2nc(OC)c(C)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C30H30ClF3N8O5/c1-5-20-24(40-8-10-41(11-9-40)29(46)23-25(44)15(2)35-14-36-23)26(45)22-27(37-16(3)28(39-22)47-4)42(20)13-21(43)38-19-7-6-17(12-18(19)31)30(32,33)34/h6-7,12,14,44H,5,8-11,13H2,1-4H3,(H,38,43)
InChIKeyFWDJVVUVRUTKSD-UHFFFAOYSA-N
MW675.07 g/mol
LogP3.75
Rot. Bonds7

About N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (PubChem CID 172629361) has the molecular formula C30H30ClF3N8O5 and a molecular weight of 675.07 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
PubChem CID172629361
Molecular FormulaC30H30ClF3N8O5
Molecular Weight675.07 g/mol
Exact Mass674.20
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)c2nc(OC)c(C)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C30H30ClF3N8O5/c1-5-20-24(40-8-10-41(11-9-40)29(46)23-25(44)15(2)35-14-36-23)26(45)22-27(37-16(3)28(39-22)47-4)42(20)13-21(43)38-19-7-6-17(12-18(19)31)30(32,33)34/h6-7,12,14,44H,5,8-11,13H2,1-4H3,(H,38,43)
InChIKeyFWDJVVUVRUTKSD-UHFFFAOYSA-N
XLogP3.75
TPSA155.67 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.07
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (CID 172629361) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)c2nc(OC)c(C)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The InChIKey is FWDJVVUVRUTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF3N8O5/c1-5-20-24(40-8-10-41(11-9-40)29(46)23-25(44)15(2)35-14-36-23)26(45)22-27(37-16(3)28(39-22)47-4)42(20)13-21(43)38-19-7-6-17(12-18(19)31)30(32,33)34/h6-7,12,14,44H,5,8-11,13H2,1-4H3,(H,38,43).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide has a molecular weight of 675.07 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methoxy-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is sourced from PubChem (CID 172629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).