4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H23F2N5O2 — CID 145022511

IUPAC4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)(F)c1nccc(CN2CCc3c(-c4c(O)cccc4F)cc(C(N)=O)nc3C2)n1
InChIInChI=1S/C23H23F2N5O2/c1-23(2,25)22-27-8-6-13(28-22)11-30-9-7-14-15(20-16(24)4-3-5-19(20)31)10-17(21(26)32)29-18(14)12-30/h3-6,8,10,31H,7,9,11-12H2,1-2H3,(H2,26,32)
InChIKeyMFMDHPZJHBLPJR-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.25
Rot. Bonds5

About 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 145022511) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID145022511
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)(F)c1nccc(CN2CCc3c(-c4c(O)cccc4F)cc(C(N)=O)nc3C2)n1
InChIInChI=1S/C23H23F2N5O2/c1-23(2,25)22-27-8-6-13(28-22)11-30-9-7-14-15(20-16(24)4-3-5-19(20)31)10-17(21(26)32)29-18(14)12-30/h3-6,8,10,31H,7,9,11-12H2,1-2H3,(H2,26,32)
InChIKeyMFMDHPZJHBLPJR-UHFFFAOYSA-N
XLogP3.25
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[4,3-d]pyrimidin-2-one
CID 162647631
6-[4-(4-Fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 56943117
1-Ethyl-3-(2-fluoro-6-hydroxyphenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
CID 118271392
3-(3,6-Difluoro-2-hydroxyphenyl)-1-ethyl-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one
CID 118400039
7-Amino-8-(3-hydroxy-2,6-dimethylphenyl)pyrido[2,3-b]pyrazine-6-carboxamide
CID 171645242
US10308614, Example 154
CID 137029586
US10308614, Example 153
CID 137029587
US10308614, Example 137
CID 137291354
[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
CID 137299048
[2-ethyl-4-(4-hydroxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
CID 137299068
(4-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 137299101
(2-fluorophenyl)-[4-(4-hydroxyphenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 137299113

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 145022511) is 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC(C)(F)c1nccc(CN2CCc3c(-c4c(O)cccc4F)cc(C(N)=O)nc3C2)n1.
What is the InChIKey of 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is MFMDHPZJHBLPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-23(2,25)22-27-8-6-13(28-22)11-30-9-7-14-15(20-16(24)4-3-5-19(20)31)10-17(21(26)32)29-18(14)12-30/h3-6,8,10,31H,7,9,11-12H2,1-2H3,(H2,26,32).
What are the key properties of 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-hydroxyphenyl)-7-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 145022511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).