1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea

C24H27FN8O2 — CID 91300144

IUPAC1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea
SMILESCCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(CC(C)(C)C)[nH]n3)c2)cc2cnc(N)nc21
InChIInChI=1S/C24H27FN8O2/c1-5-33-20-14(12-27-22(26)30-20)8-16(21(33)34)13-6-7-17(25)18(9-13)28-23(35)29-19-10-15(31-32-19)11-24(2,3)4/h6-10,12H,5,11H2,1-4H3,(H2,26,27,30)(H3,28,29,31,32,35)
InChIKeyUIIVSEZMXYNIMQ-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.16
Rot. Bonds5

About 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea

1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea (PubChem CID 91300144) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea
PubChem CID91300144
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Name1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea
SMILESCCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(CC(C)(C)C)[nH]n3)c2)cc2cnc(N)nc21
InChIInChI=1S/C24H27FN8O2/c1-5-33-20-14(12-27-22(26)30-20)8-16(21(33)34)13-6-7-17(25)18(9-13)28-23(35)29-19-10-15(31-32-19)11-24(2,3)4/h6-10,12H,5,11H2,1-4H3,(H2,26,27,30)(H3,28,29,31,32,35)
InChIKeyUIIVSEZMXYNIMQ-UHFFFAOYSA-N
XLogP4.16
TPSA143.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea (CID 91300144) is 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea is CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(CC(C)(C)C)[nH]n3)c2)cc2cnc(N)nc21.
What is the InChIKey of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea?
The InChIKey is UIIVSEZMXYNIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-5-33-20-14(12-27-22(26)30-20)8-16(21(33)34)13-6-7-17(25)18(9-13)28-23(35)29-19-10-15(31-32-19)11-24(2,3)4/h6-10,12H,5,11H2,1-4H3,(H2,26,27,30)(H3,28,29,31,32,35).
What are the key properties of 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea?
1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea has a molecular weight of 478.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-amino-8-ethyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 91300144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).