4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide

C72H67Cl8F12N22O5P — CID 160824431

IUPAC4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide
SMILESCCOC(=O)C1CCN(c2ncccc2Cl)CC1=O.CCn1ncc2cc(N)ccc21.CCn1ncc2cc(Nc3nc(C(F)(F)F)nc4c3CCN(c3ncccc3Cl)C4)ccc21.FC(F)(F)c1nc(Cl)c2c(n1)CN(c1ncccc1Cl)CC2.O=P(Cl)(Cl)Cl.O=c1[nH]c(C(F)(F)F)nc2c1CCN(c1ncccc1Cl)C2.[H]/N=C(\N)C(F)(F)F
InChIInChI=1S/C22H19ClF3N7.C13H9Cl2F3N4.C13H10ClF3N4O.C13H15ClN2O3.C9H11N3.C2H3F3N2.Cl3OP/c1-2-33-18-6-5-14(10-13(18)11-28-33)29-19-15-7-9-32(20-16(23)4-3-8-27-20)12-17(15)30-21(31-19)22(24,25)26;14-8-2-1-4-19-11(8)22-5-3-7-9(6-22)20-12(13(16,17)18)21-10(7)15;14-8-2-1-4-18-10(8)21-5-3-7-9(6-21)19-12(13(15,16)17)20-11(7)22;1-2-19-13(18)9-5-7-16(8-11(9)17)12-10(14)4-3-6-15-12;1-2-12-9-4-3-8(10)5-7(9)6-11-12;3-2(4,5)1(6)7;1-5(2,3)4/h3-6,8,10-11H,2,7,9,12H2,1H3,(H,29,30,31);1-2,4H,3,5-6H2;1-2,4H,3,5-6H2,(H,19,20,22);3-4,6,9H,2,5,7-8H2,1H3;3-6H,2,10H2,1H3;(H3,6,7);
InChIKeySFYYOPZEIYORJP-UHFFFAOYSA-N
MW1863.05 g/mol
LogP18.01
Rot. Bonds10

About 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide

4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide (PubChem CID 160824431) has the molecular formula C72H67Cl8F12N22O5P and a molecular weight of 1863.05 g/mol. Its IUPAC name is 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound Name4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide
PubChem CID160824431
Molecular FormulaC72H67Cl8F12N22O5P
Molecular Weight1863.05 g/mol
Exact Mass1858.27
IUPAC Name4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide
SMILESCCOC(=O)C1CCN(c2ncccc2Cl)CC1=O.CCn1ncc2cc(N)ccc21.CCn1ncc2cc(Nc3nc(C(F)(F)F)nc4c3CCN(c3ncccc3Cl)C4)ccc21.FC(F)(F)c1nc(Cl)c2c(n1)CN(c1ncccc1Cl)CC2.O=P(Cl)(Cl)Cl.O=c1[nH]c(C(F)(F)F)nc2c1CCN(c1ncccc1Cl)C2.[H]/N=C(\N)C(F)(F)F
InChIInChI=1S/C22H19ClF3N7.C13H9Cl2F3N4.C13H10ClF3N4O.C13H15ClN2O3.C9H11N3.C2H3F3N2.Cl3OP/c1-2-33-18-6-5-14(10-13(18)11-28-33)29-19-15-7-9-32(20-16(23)4-3-8-27-20)12-17(15)30-21(31-19)22(24,25)26;14-8-2-1-4-19-11(8)22-5-3-7-9(6-22)20-12(13(16,17)18)21-10(7)15;14-8-2-1-4-18-10(8)21-5-3-7-9(6-21)19-12(13(15,16)17)20-11(7)22;1-2-19-13(18)9-5-7-16(8-11(9)17)12-10(14)4-3-6-15-12;1-2-12-9-4-3-8(10)5-7(9)6-11-12;3-2(4,5)1(6)7;1-5(2,3)4/h3-6,8,10-11H,2,7,9,12H2,1H3,(H,29,30,31);1-2,4H,3,5-6H2;1-2,4H,3,5-6H2,(H,19,20,22);3-4,6,9H,2,5,7-8H2,1H3;3-6H,2,10H2,1H3;(H3,6,7);
InChIKeySFYYOPZEIYORJP-UHFFFAOYSA-N
XLogP18.01
TPSA345.83 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.05
LogP ≤ 518.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide?
The IUPAC name of 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide (CID 160824431) is 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide.
What is the SMILES notation for 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide?
The canonical SMILES for 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide is CCOC(=O)C1CCN(c2ncccc2Cl)CC1=O.CCn1ncc2cc(N)ccc21.CCn1ncc2cc(Nc3nc(C(F)(F)F)nc4c3CCN(c3ncccc3Cl)C4)ccc21.FC(F)(F)c1nc(Cl)c2c(n1)CN(c1ncccc1Cl)CC2.O=P(Cl)(Cl)Cl.O=c1[nH]c(C(F)(F)F)nc2c1CCN(c1ncccc1Cl)C2.[H]/N=C(\N)C(F)(F)F.
What is the InChIKey of 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide?
The InChIKey is SFYYOPZEIYORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N7.C13H9Cl2F3N4.C13H10ClF3N4O.C13H15ClN2O3.C9H11N3.C2H3F3N2.Cl3OP/c1-2-33-18-6-5-14(10-13(18)11-28-33)29-19-15-7-9-32(20-16(23)4-3-8-27-20)12-17(15)30-21(31-19)22(24,25)26;14-8-2-1-4-19-11(8)22-5-3-7-9(6-22)20-12(13(16,17)18)21-10(7)15;14-8-2-1-4-18-10(8)21-5-3-7-9(6-21)19-12(13(15,16)17)20-11(7)22;1-2-19-13(18)9-5-7-16(8-11(9)17)12-10(14)4-3-6-15-12;1-2-12-9-4-3-8(10)5-7(9)6-11-12;3-2(4,5)1(6)7;1-5(2,3)4/h3-6,8,10-11H,2,7,9,12H2,1H3,(H,29,30,31);1-2,4H,3,5-6H2;1-2,4H,3,5-6H2,(H,19,20,22);3-4,6,9H,2,5,7-8H2,1H3;3-6H,2,10H2,1H3;(H3,6,7);.
What are the key properties of 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide?
4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide has a molecular weight of 1863.05 g/mol, XLogP of 18.01, 10 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(3-chloro-2-pyridinyl)-N-(1-ethylindazol-5-yl)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;ethyl 1-(3-chloro-2-pyridinyl)-3-oxopiperidine-4-carboxylate;1-ethylindazol-5-amine;phosphoryl trichloride;2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 160824431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).