N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C50H44F4N10O9 — CID 167536310

IUPACN-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F.COc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F
InChIInChI=1S/C26H25F2N5O5.C24H19F2N5O4/c1-35-19-12-20(36-2)22(28)17(21(19)27)9-7-15-13-29-25(30-14-15)32-26(34)33-11-5-6-16-8-10-18(31-23(16)33)24(37-3)38-4;1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h8,10,12-14,24H,5-6,11H2,1-4H3,(H,29,30,32,34);6-7,10-13H,3-4,9H2,1-2H3,(H,27,28,30,33)
InChIKeyAPLXFMPPFIMNIM-UHFFFAOYSA-N
MW1004.95 g/mol
LogP7.21
Rot. Bonds10

About N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 167536310) has the molecular formula C50H44F4N10O9 and a molecular weight of 1004.95 g/mol. Its IUPAC name is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID167536310
Molecular FormulaC50H44F4N10O9
Molecular Weight1004.95 g/mol
Exact Mass1004.32
IUPAC NameN-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F.COc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F
InChIInChI=1S/C26H25F2N5O5.C24H19F2N5O4/c1-35-19-12-20(36-2)22(28)17(21(19)27)9-7-15-13-29-25(30-14-15)32-26(34)33-11-5-6-16-8-10-18(31-23(16)33)24(37-3)38-4;1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h8,10,12-14,24H,5-6,11H2,1-4H3,(H,29,30,32,34);6-7,10-13H,3-4,9H2,1-2H3,(H,27,28,30,33)
InChIKeyAPLXFMPPFIMNIM-UHFFFAOYSA-N
XLogP7.21
TPSA214.47 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001004.95
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
CID 146283376
N-cyclopropyl-5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]pyridine-2-carboxamide
CID 146283448
5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
CID 146283449
N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415335
N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415337
N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415350
N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415351
N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415352
N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415353
N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415355
N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415377
N-[5-[(Z)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155415380

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 167536310) is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F.COc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F.
What is the InChIKey of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is APLXFMPPFIMNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O5.C24H19F2N5O4/c1-35-19-12-20(36-2)22(28)17(21(19)27)9-7-15-13-29-25(30-14-15)32-26(34)33-11-5-6-16-8-10-18(31-23(16)33)24(37-3)38-4;1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h8,10,12-14,24H,5-6,11H2,1-4H3,(H,29,30,32,34);6-7,10-13H,3-4,9H2,1-2H3,(H,27,28,30,33).
What are the key properties of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1004.95 g/mol, XLogP of 7.21, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 167536310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).