7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one

C22H18F3N7O3 — CID 164714493

IUPAC7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1cnc(OC(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2
InChIInChI=1S/C22H18F3N7O3/c1-3-34-18-7-4-13-12-31(15-5-6-17-14(8-15)11-30(2)29-17)21(33)32(19(13)28-18)16-9-26-20(27-10-16)35-22(23,24)25/h4-11H,3,12H2,1-2H3
InChIKeyLBMXCJSZOWIIOP-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.33
Rot. Bonds5

About 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one

7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 164714493) has the molecular formula C22H18F3N7O3 and a molecular weight of 485.43 g/mol. Its IUPAC name is 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID164714493
Molecular FormulaC22H18F3N7O3
Molecular Weight485.43 g/mol
Exact Mass485.14
IUPAC Name7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1cnc(OC(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2
InChIInChI=1S/C22H18F3N7O3/c1-3-34-18-7-4-13-12-31(15-5-6-17-14(8-15)11-30(2)29-17)21(33)32(19(13)28-18)16-9-26-20(27-10-16)35-22(23,24)25/h4-11H,3,12H2,1-2H3
InChIKeyLBMXCJSZOWIIOP-UHFFFAOYSA-N
XLogP4.33
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one (CID 164714493) is 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1cnc(OC(F)(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.
What is the InChIKey of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is LBMXCJSZOWIIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O3/c1-3-34-18-7-4-13-12-31(15-5-6-17-14(8-15)11-30(2)29-17)21(33)32(19(13)28-18)16-9-26-20(27-10-16)35-22(23,24)25/h4-11H,3,12H2,1-2H3.
What are the key properties of 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one?
7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 485.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethoxy)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 164714493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).