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

C34H34ClF3N8O5 — CID 172629342

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ncc4c(c3O)OCC4)CC2)c(=O)c2nc(N(C)C3CC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C34H34ClF3N8O5/c1-3-23-28(44-9-11-45(12-10-44)33(50)27-30(49)31-18(15-39-27)8-13-51-31)29(48)26-32(40-16-24(42-26)43(2)20-5-6-20)46(23)17-25(47)41-22-7-4-19(14-21(22)35)34(36,37)38/h4,7,14-16,20,49H,3,5-6,8-13,17H2,1-2H3,(H,41,47)
InChIKeyQWWALNHBLHDRHF-UHFFFAOYSA-N
MW727.14 g/mol
LogP4.26
Rot. Bonds8

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

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (PubChem CID 172629342) has the molecular formula C34H34ClF3N8O5 and a molecular weight of 727.14 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
PubChem CID172629342
Molecular FormulaC34H34ClF3N8O5
Molecular Weight727.14 g/mol
Exact Mass726.23
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide
SMILESCCc1c(N2CCN(C(=O)c3ncc4c(c3O)OCC4)CC2)c(=O)c2nc(N(C)C3CC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C34H34ClF3N8O5/c1-3-23-28(44-9-11-45(12-10-44)33(50)27-30(49)31-18(15-39-27)8-13-51-31)29(48)26-32(40-16-24(42-26)43(2)20-5-6-20)46(23)17-25(47)41-22-7-4-19(14-21(22)35)34(36,37)38/h4,7,14-16,20,49H,3,5-6,8-13,17H2,1-2H3,(H,41,47)
InChIKeyQWWALNHBLHDRHF-UHFFFAOYSA-N
XLogP4.26
TPSA146.02 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.14
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-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-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide (CID 172629342) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is CCc1c(N2CCN(C(=O)c3ncc4c(c3O)OCC4)CC2)c(=O)c2nc(N(C)C3CC3)cnc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
The InChIKey is QWWALNHBLHDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClF3N8O5/c1-3-23-28(44-9-11-45(12-10-44)33(50)27-30(49)31-18(15-39-27)8-13-51-31)29(48)26-32(40-16-24(42-26)43(2)20-5-6-20)46(23)17-25(47)41-22-7-4-19(14-21(22)35)34(36,37)38/h4,7,14-16,20,49H,3,5-6,8-13,17H2,1-2H3,(H,41,47).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide has a molecular weight of 727.14 g/mol, XLogP of 4.26, 8 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-[2-[cyclopropyl(methyl)amino]-6-ethyl-7-[4-(7-hydroxy-2,3-dihydrofuro[3,2-c]pyridine-6-carbonyl)piperazin-1-yl]-8-oxopyrido[2,3-b]pyrazin-5-yl]acetamide is sourced from PubChem (CID 172629342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).