1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea

C30H30F2N8O2 — CID 69295849

IUPAC1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea
SMILESCNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cn(C(C)C)nc4-c4cccc(F)c4)c3)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C30H30F2N8O2/c1-16(2)39-15-25(26(38-39)19-7-6-8-21(31)11-19)36-30(42)35-24-13-18(9-10-23(24)32)22-12-20-14-34-29(33-5)37-27(20)40(17(3)4)28(22)41/h6-17H,1-5H3,(H,33,34,37)(H2,35,36,42)
InChIKeyRMOTYQJRAIGYBR-UHFFFAOYSA-N
MW572.62 g/mol
LogP6.45
Rot. Bonds7

About 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea

1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea (PubChem CID 69295849) has the molecular formula C30H30F2N8O2 and a molecular weight of 572.62 g/mol. Its IUPAC name is 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea
PubChem CID69295849
Molecular FormulaC30H30F2N8O2
Molecular Weight572.62 g/mol
Exact Mass572.25
IUPAC Name1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea
SMILESCNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cn(C(C)C)nc4-c4cccc(F)c4)c3)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C30H30F2N8O2/c1-16(2)39-15-25(26(38-39)19-7-6-8-21(31)11-19)36-30(42)35-24-13-18(9-10-23(24)32)22-12-20-14-34-29(33-5)37-27(20)40(17(3)4)28(22)41/h6-17H,1-5H3,(H,33,34,37)(H2,35,36,42)
InChIKeyRMOTYQJRAIGYBR-UHFFFAOYSA-N
XLogP6.45
TPSA118.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea?
The IUPAC name of 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea (CID 69295849) is 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea.
What is the SMILES notation for 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea?
The canonical SMILES for 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea is CNc1ncc2cc(-c3ccc(F)c(NC(=O)Nc4cn(C(C)C)nc4-c4cccc(F)c4)c3)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea?
The InChIKey is RMOTYQJRAIGYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2/c1-16(2)39-15-25(26(38-39)19-7-6-8-21(31)11-19)36-30(42)35-24-13-18(9-10-23(24)32)22-12-20-14-34-29(33-5)37-27(20)40(17(3)4)28(22)41/h6-17H,1-5H3,(H,33,34,37)(H2,35,36,42).
What are the key properties of 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea?
1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea has a molecular weight of 572.62 g/mol, XLogP of 6.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]urea is sourced from PubChem (CID 69295849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).