1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea

C27H23FN6O2 — CID 69298789

IUPAC1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea
SMILESCNc1ncc2cc(-c3cc(NC(=O)Nc4cccc5ccccc45)c(F)cc3C)c(=O)n(C)c2n1
InChIInChI=1S/C27H23FN6O2/c1-15-11-21(28)23(32-27(36)31-22-10-6-8-16-7-4-5-9-18(16)22)13-19(15)20-12-17-14-30-26(29-2)33-24(17)34(3)25(20)35/h4-14H,1-3H3,(H,29,30,33)(H2,31,32,36)
InChIKeySKZLYFATZTXWMH-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.28
Rot. Bonds4

About 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea

1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea (PubChem CID 69298789) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea
PubChem CID69298789
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea
SMILESCNc1ncc2cc(-c3cc(NC(=O)Nc4cccc5ccccc45)c(F)cc3C)c(=O)n(C)c2n1
InChIInChI=1S/C27H23FN6O2/c1-15-11-21(28)23(32-27(36)31-22-10-6-8-16-7-4-5-9-18(16)22)13-19(15)20-12-17-14-30-26(29-2)33-24(17)34(3)25(20)35/h4-14H,1-3H3,(H,29,30,33)(H2,31,32,36)
InChIKeySKZLYFATZTXWMH-UHFFFAOYSA-N
XLogP5.28
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea (CID 69298789) is 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea is CNc1ncc2cc(-c3cc(NC(=O)Nc4cccc5ccccc45)c(F)cc3C)c(=O)n(C)c2n1.
What is the InChIKey of 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea?
The InChIKey is SKZLYFATZTXWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-15-11-21(28)23(32-27(36)31-22-10-6-8-16-7-4-5-9-18(16)22)13-19(15)20-12-17-14-30-26(29-2)33-24(17)34(3)25(20)35/h4-14H,1-3H3,(H,29,30,33)(H2,31,32,36).
What are the key properties of 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea?
1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea has a molecular weight of 482.52 g/mol, XLogP of 5.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-methyl-5-[8-methyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 69298789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).