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

C26H27F2N5O5 — CID 155415380

IUPACN-[5-[(Z)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(OC)c(F)c(/C=C\c2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F
InChIInChI=1S/C26H27F2N5O5/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/h7-10,12-14,24H,5-6,11H2,1-4H3,(H,29,30,32,34)/b9-7-
InChIKeyFNWYKPYZBQCMAN-CLFYSBASSA-N
MW527.53 g/mol
LogP4.61
Rot. Bonds8

About 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

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 (PubChem CID 155415380) has the molecular formula C26H27F2N5O5 and a molecular weight of 527.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-[(Z)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID155415380
Molecular FormulaC26H27F2N5O5
Molecular Weight527.53 g/mol
Exact Mass527.20
IUPAC NameN-[5-[(Z)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(OC)c(F)c(/C=C\c2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F
InChIInChI=1S/C26H27F2N5O5/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/h7-10,12-14,24H,5-6,11H2,1-4H3,(H,29,30,32,34)/b9-7-
InChIKeyFNWYKPYZBQCMAN-CLFYSBASSA-N
XLogP4.61
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-Tert-butyl-1-[3-(3,5-dimethoxyphenyl)-7-{[3-(morpholin-4-yl)propyl]amino}-1,6-naphthyridin-2-yl]urea
CID 5329004
1,6-Naphthyridine 24
CID 5330134
1,6-Naphthyridine 16
CID 5330126
1,6-Naphthyridine 19
CID 5330129
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidin-2-amine
CID 90166115
1-Tert-butyl-3-[6-(3,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 44390984
US10202371, Example 6
CID 75201319
US10202371, Example 3
CID 86718541
US10202371, Example 2
CID 90124010
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholinopyridin-3-yl)-3,4-dihydropyrido[4,3-d]pyrimidin-2(1H)-one
CID 122474610
Irpagratinib
CID 135181440
6-[(2,3-Difluorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-amine
CID 16028313

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)c(F)c(/C=C\c2cnc(NC(=O)N3CCCc4ccc(C(OC)OC)nc43)nc2)c1F.
What is the InChIKey of 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?
The InChIKey is FNWYKPYZBQCMAN-CLFYSBASSA-N. The full InChI is InChI=1S/C26H27F2N5O5/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/h7-10,12-14,24H,5-6,11H2,1-4H3,(H,29,30,32,34)/b9-7-.
What are the key properties of 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?
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 has a molecular weight of 527.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155415380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).