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

C30H29ClF3N7O5 — CID 172629306

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ccnc(OC)c3O)CC2)c(=O)c2ncc(C)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C30H29ClF3N7O5/c1-4-21-24(39-9-11-40(12-10-39)29(45)18-7-8-35-28(46-3)25(18)43)26(44)23-27(37-16(2)14-36-23)41(21)15-22(42)38-20-6-5-17(13-19(20)31)30(32,33)34/h5-8,13-14,43H,4,9-12,15H2,1-3H3,(H,38,42)
InChIKeyLDCMBAAOWYMWJX-UHFFFAOYSA-N
MW660.05 g/mol
LogP4.04
Rot. Bonds7

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

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (PubChem CID 172629306) has the molecular formula C30H29ClF3N7O5 and a molecular weight of 660.05 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-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-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
PubChem CID172629306
Molecular FormulaC30H29ClF3N7O5
Molecular Weight660.05 g/mol
Exact Mass659.19
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ccnc(OC)c3O)CC2)c(=O)c2ncc(C)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C30H29ClF3N7O5/c1-4-21-24(39-9-11-40(12-10-39)29(45)18-7-8-35-28(46-3)25(18)43)26(44)23-27(37-16(2)14-36-23)41(21)15-22(42)38-20-6-5-17(13-19(20)31)30(32,33)34/h5-8,13-14,43H,4,9-12,15H2,1-3H3,(H,38,42)
InChIKeyLDCMBAAOWYMWJX-UHFFFAOYSA-N
XLogP4.04
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.05
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide 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-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-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-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (CID 172629306) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-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-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-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-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is CCc1c(N2CCN(C(=O)c3ccnc(OC)c3O)CC2)c(=O)c2ncc(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-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The InChIKey is LDCMBAAOWYMWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClF3N7O5/c1-4-21-24(39-9-11-40(12-10-39)29(45)18-7-8-35-28(46-3)25(18)43)26(44)23-27(37-16(2)14-36-23)41(21)15-22(42)38-20-6-5-17(13-19(20)31)30(32,33)34/h5-8,13-14,43H,4,9-12,15H2,1-3H3,(H,38,42).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide has a molecular weight of 660.05 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[6-ethyl-7-[4-(3-hydroxy-2-methoxypyridine-4-carbonyl)piperazin-1-yl]-3-methyl-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is sourced from PubChem (CID 172629306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).