N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide

C105H102ClN19O12S4 — CID 158032840

IUPACN-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
SMILESCc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2ccc3ccccc3n2)c1.Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ncccc23)c1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCCNS2(=O)=O)cc1
InChIInChI=1S/C28H28N4O3S.2C27H27N5O3S.C23H20ClN5O3S/c1-19-9-11-22(18-25(19)27-14-10-21-7-4-5-8-26(21)30-27)29-28(33)24-13-12-23(17-20(24)2)32-16-6-15-31(3)36(32,34)35;1-18-5-7-21(16-24(18)26-10-6-20-17-28-12-11-25(20)30-26)29-27(33)23-9-8-22(15-19(23)2)32-14-4-13-31(3)36(32,34)35;1-18-7-8-20(17-24(18)26-23-6-4-12-28-25(23)11-13-29-26)30-27(33)22-10-9-21(16-19(22)2)32-15-5-14-31(3)36(32,34)35;24-20-7-4-17(14-19(20)22-21-15(8-11-25-21)9-12-26-22)28-23(30)16-2-5-18(6-3-16)29-13-1-10-27-33(29,31)32/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,33);5-12,15-17H,4,13-14H2,1-3H3,(H,29,33);4,6-13,16-17H,5,14-15H2,1-3H3,(H,30,33);2-9,11-12,14,25,27H,1,10,13H2,(H,28,30)
InChIKeyFHJRGWUFCIPREI-UHFFFAOYSA-N
MW1985.81 g/mol
LogP18.44
Rot. Bonds16

About N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide

N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide (PubChem CID 158032840) has the molecular formula C105H102ClN19O12S4 and a molecular weight of 1985.81 g/mol. Its IUPAC name is N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
PubChem CID158032840
Molecular FormulaC105H102ClN19O12S4
Molecular Weight1985.81 g/mol
Exact Mass1983.65
IUPAC NameN-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
SMILESCc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2ccc3ccccc3n2)c1.Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ncccc23)c1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCCNS2(=O)=O)cc1
InChIInChI=1S/C28H28N4O3S.2C27H27N5O3S.C23H20ClN5O3S/c1-19-9-11-22(18-25(19)27-14-10-21-7-4-5-8-26(21)30-27)29-28(33)24-13-12-23(17-20(24)2)32-16-6-15-31(3)36(32,34)35;1-18-5-7-21(16-24(18)26-10-6-20-17-28-12-11-25(20)30-26)29-27(33)23-9-8-22(15-19(23)2)32-14-4-13-31(3)36(32,34)35;1-18-7-8-20(17-24(18)26-23-6-4-12-28-25(23)11-13-29-26)30-27(33)22-10-9-21(16-19(22)2)32-15-5-14-31(3)36(32,34)35;24-20-7-4-17(14-19(20)22-21-15(8-11-25-21)9-12-26-22)28-23(30)16-2-5-18(6-3-16)29-13-1-10-27-33(29,31)32/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,33);5-12,15-17H,4,13-14H2,1-3H3,(H,29,33);4,6-13,16-17H,5,14-15H2,1-3H3,(H,30,33);2-9,11-12,14,25,27H,1,10,13H2,(H,28,30)
InChIKeyFHJRGWUFCIPREI-UHFFFAOYSA-N
XLogP18.44
TPSA380.80 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001985.81
LogP ≤ 518.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
The IUPAC name of N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide (CID 158032840) is N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide is Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2ccc3ccccc3n2)c1.Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2ccc3cnccc3n2)c1.Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1ccc(C)c(-c2nccc3ncccc23)c1.O=C(Nc1ccc(Cl)c(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCCNS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
The InChIKey is FHJRGWUFCIPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3S.2C27H27N5O3S.C23H20ClN5O3S/c1-19-9-11-22(18-25(19)27-14-10-21-7-4-5-8-26(21)30-27)29-28(33)24-13-12-23(17-20(24)2)32-16-6-15-31(3)36(32,34)35;1-18-5-7-21(16-24(18)26-10-6-20-17-28-12-11-25(20)30-26)29-27(33)23-9-8-22(15-19(23)2)32-14-4-13-31(3)36(32,34)35;1-18-7-8-20(17-24(18)26-23-6-4-12-28-25(23)11-13-29-26)30-27(33)22-10-9-21(16-19(22)2)32-15-5-14-31(3)36(32,34)35;24-20-7-4-17(14-19(20)22-21-15(8-11-25-21)9-12-26-22)28-23(30)16-2-5-18(6-3-16)29-13-1-10-27-33(29,31)32/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,33);5-12,15-17H,4,13-14H2,1-3H3,(H,29,33);4,6-13,16-17H,5,14-15H2,1-3H3,(H,30,33);2-9,11-12,14,25,27H,1,10,13H2,(H,28,30).
What are the key properties of N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide?
N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide has a molecular weight of 1985.81 g/mol, XLogP of 18.44, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzamide;2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide is sourced from PubChem (CID 158032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).