2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide

C52H44F4N12O7 — CID 157239191

IUPAC2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)OCCN(C)C)n(Cc3cc4c(=O)[nH]cnc4cc3F)c2cc1F
InChIInChI=1S/C27H24F2N6O4.C25H20F2N6O3/c1-14-18(28)11-21-23(33-14)22(16-5-4-6-30-25(16)36)24(27(38)39-8-7-34(2)3)35(21)12-15-9-17-20(10-19(15)29)31-13-32-26(17)37;1-3-28-25(36)22-20(14-5-4-6-29-23(14)34)21-19(9-16(26)12(2)32-21)33(22)10-13-7-15-18(8-17(13)27)30-11-31-24(15)35/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,30,36)(H,31,32,37);4-9,11H,3,10H2,1-2H3,(H,28,36)(H,29,34)(H,30,31,35)
InChIKeyAUZRWARMDGAYLQ-UHFFFAOYSA-N
MW1024.99 g/mol
LogP5.99
Rot. Bonds12

About 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide

2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 157239191) has the molecular formula C52H44F4N12O7 and a molecular weight of 1024.99 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID157239191
Molecular FormulaC52H44F4N12O7
Molecular Weight1024.99 g/mol
Exact Mass1024.34
IUPAC Name2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)OCCN(C)C)n(Cc3cc4c(=O)[nH]cnc4cc3F)c2cc1F
InChIInChI=1S/C27H24F2N6O4.C25H20F2N6O3/c1-14-18(28)11-21-23(33-14)22(16-5-4-6-30-25(16)36)24(27(38)39-8-7-34(2)3)35(21)12-15-9-17-20(10-19(15)29)31-13-32-26(17)37;1-3-28-25(36)22-20(14-5-4-6-29-23(14)34)21-19(9-16(26)12(2)32-21)33(22)10-13-7-15-18(8-17(13)27)30-11-31-24(15)35/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,30,36)(H,31,32,37);4-9,11H,3,10H2,1-2H3,(H,28,36)(H,29,34)(H,30,31,35)
InChIKeyAUZRWARMDGAYLQ-UHFFFAOYSA-N
XLogP5.99
TPSA251.50 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.99
LogP ≤ 55.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
CID 59490930
1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
CID 59490936
2-(dimethylamino)ethyl 1-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate
CID 25225048
4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 135566393
5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 59490918
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
CID 58371532
6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate
CID 159516815
1-[(2-chloroquinolin-3-yl)methyl]-N-ethylsulfanyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 143773387
ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
CID 59283467
2-(dimethylamino)ethyl 6-[(2-amino-7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-2,4-dioxo-1H-quinazolin-6-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate;6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 160649565
ethane;ethyl 5-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate;methanol
CID 143773578

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide (CID 157239191) is 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide is CCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)OCCN(C)C)n(Cc3cc4c(=O)[nH]cnc4cc3F)c2cc1F.
What is the InChIKey of 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is AUZRWARMDGAYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O4.C25H20F2N6O3/c1-14-18(28)11-21-23(33-14)22(16-5-4-6-30-25(16)36)24(27(38)39-8-7-34(2)3)35(21)12-15-9-17-20(10-19(15)29)31-13-32-26(17)37;1-3-28-25(36)22-20(14-5-4-6-29-23(14)34)21-19(9-16(26)12(2)32-21)33(22)10-13-7-15-18(8-17(13)27)30-11-31-24(15)35/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,30,36)(H,31,32,37);4-9,11H,3,10H2,1-2H3,(H,28,36)(H,29,34)(H,30,31,35).
What are the key properties of 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide?
2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 1024.99 g/mol, XLogP of 5.99, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-6-fluoro-1-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 157239191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).