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

C32H32FN9O2 — CID 69295152

IUPAC1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
SMILESCNc1ncc2cc(-c3cc(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C#N)cc4)c(F)cc3C)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C32H32FN9O2/c1-17(2)26-14-28(42(40-26)22-9-7-20(15-34)8-10-22)38-32(44)37-27-13-23(19(5)11-25(27)33)24-12-21-16-36-31(35-6)39-29(21)41(18(3)4)30(24)43/h7-14,16-18H,1-6H3,(H,35,36,39)(H2,37,38,44)
InChIKeyASEARZRMOGVGFQ-UHFFFAOYSA-N
MW593.67 g/mol
LogP6.35
Rot. Bonds7

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

1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea (PubChem CID 69295152) has the molecular formula C32H32FN9O2 and a molecular weight of 593.67 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
PubChem CID69295152
Molecular FormulaC32H32FN9O2
Molecular Weight593.67 g/mol
Exact Mass593.27
IUPAC Name1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
SMILESCNc1ncc2cc(-c3cc(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C#N)cc4)c(F)cc3C)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C32H32FN9O2/c1-17(2)26-14-28(42(40-26)22-9-7-20(15-34)8-10-22)38-32(44)37-27-13-23(19(5)11-25(27)33)24-12-21-16-36-31(35-6)39-29(21)41(18(3)4)30(24)43/h7-14,16-18H,1-6H3,(H,35,36,39)(H2,37,38,44)
InChIKeyASEARZRMOGVGFQ-UHFFFAOYSA-N
XLogP6.35
TPSA142.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.67
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?
The IUPAC name of 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea (CID 69295152) is 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea.
What is the SMILES notation for 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?
The canonical SMILES for 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea is CNc1ncc2cc(-c3cc(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C#N)cc4)c(F)cc3C)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?
The InChIKey is ASEARZRMOGVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9O2/c1-17(2)26-14-28(42(40-26)22-9-7-20(15-34)8-10-22)38-32(44)37-27-13-23(19(5)11-25(27)33)24-12-21-16-36-31(35-6)39-29(21)41(18(3)4)30(24)43/h7-14,16-18H,1-6H3,(H,35,36,39)(H2,37,38,44).
What are the key properties of 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea?
1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea has a molecular weight of 593.67 g/mol, XLogP of 6.35, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-methyl-5-[2-(methylamino)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]phenyl]urea is sourced from PubChem (CID 69295152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).