1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C19H21F3N4O4 — CID 39618851

IUPAC1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C19H21F3N4O4/c20-19(21,22)9-30-13-3-1-2-11(7-13)24-16(27)10-6-14-15(23-8-10)26(12-4-5-12)18(29)25-17(14)28/h6,8,11-13H,1-5,7,9H2,(H,24,27)(H,25,28,29)/t11-,13+/m0/s1
InChIKeyFPRCUDXYKQIBBU-WCQYABFASA-N
MW426.40 g/mol
LogP2.04
Rot. Bonds5

About 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39618851) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID39618851
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC Name1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C19H21F3N4O4/c20-19(21,22)9-30-13-3-1-2-11(7-13)24-16(27)10-6-14-15(23-8-10)26(12-4-5-12)18(29)25-17(14)28/h6,8,11-13H,1-5,7,9H2,(H,24,27)(H,25,28,29)/t11-,13+/m0/s1
InChIKeyFPRCUDXYKQIBBU-WCQYABFASA-N
XLogP2.04
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 39618851) is 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide is O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FPRCUDXYKQIBBU-WCQYABFASA-N. The full InChI is InChI=1S/C19H21F3N4O4/c20-19(21,22)9-30-13-3-1-2-11(7-13)24-16(27)10-6-14-15(23-8-10)26(12-4-5-12)18(29)25-17(14)28/h6,8,11-13H,1-5,7,9H2,(H,24,27)(H,25,28,29)/t11-,13+/m0/s1.
What are the key properties of 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39618851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).