6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C73H70Cl2F9N19 — CID 158559698

IUPAC6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(Cc1ccccc1)CC2)c1ccc(C(F)(F)F)nc1.C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cc1C#N)CC2)c1ccc(C(F)(F)F)nc1.C[C@@H](Nc1ncnc2c1CNCC2)c1ccc(C(F)(F)F)nc1.Clc1ncnc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H18ClF3N6.C22H22F3N5.C15H16F3N5.C14H14ClN3/c1-13(14-2-5-20(28-10-14)22(24,25)26)31-21-17-11-32(7-6-18(17)29-12-30-21)19-4-3-16(23)8-15(19)9-27;1-15(17-7-8-20(26-11-17)22(23,24)25)29-21-18-13-30(10-9-19(18)27-14-28-21)12-16-5-3-2-4-6-16;1-9(10-2-3-13(20-6-10)15(16,17)18)23-14-11-7-19-5-4-12(11)21-8-22-14;15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h2-5,8,10,12-13H,6-7,11H2,1H3,(H,29,30,31);2-8,11,14-15H,9-10,12-13H2,1H3,(H,27,28,29);2-3,6,8-9,19H,4-5,7H2,1H3,(H,21,22,23);1-5,10H,6-9H2/t13-;15-;9-;/m111./s1
InChIKeyHQSOQUOUXXYTAJ-MXWPCECVSA-N
MW1455.38 g/mol
LogP15.17
Rot. Bonds14

About 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 158559698) has the molecular formula C73H70Cl2F9N19 and a molecular weight of 1455.38 g/mol. Its IUPAC name is 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID158559698
Molecular FormulaC73H70Cl2F9N19
Molecular Weight1455.38 g/mol
Exact Mass1453.53
IUPAC Name6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(Cc1ccccc1)CC2)c1ccc(C(F)(F)F)nc1.C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cc1C#N)CC2)c1ccc(C(F)(F)F)nc1.C[C@@H](Nc1ncnc2c1CNCC2)c1ccc(C(F)(F)F)nc1.Clc1ncnc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H18ClF3N6.C22H22F3N5.C15H16F3N5.C14H14ClN3/c1-13(14-2-5-20(28-10-14)22(24,25)26)31-21-17-11-32(7-6-18(17)29-12-30-21)19-4-3-16(23)8-15(19)9-27;1-15(17-7-8-20(26-11-17)22(23,24)25)29-21-18-13-30(10-9-19(18)27-14-28-21)12-16-5-3-2-4-6-16;1-9(10-2-3-13(20-6-10)15(16,17)18)23-14-11-7-19-5-4-12(11)21-8-22-14;15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h2-5,8,10,12-13H,6-7,11H2,1H3,(H,29,30,31);2-8,11,14-15H,9-10,12-13H2,1H3,(H,27,28,29);2-3,6,8-9,19H,4-5,7H2,1H3,(H,21,22,23);1-5,10H,6-9H2/t13-;15-;9-;/m111./s1
InChIKeyHQSOQUOUXXYTAJ-MXWPCECVSA-N
XLogP15.17
TPSA223.42 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.38
LogP ≤ 515.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 158559698) is 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1CN(Cc1ccccc1)CC2)c1ccc(C(F)(F)F)nc1.C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cc1C#N)CC2)c1ccc(C(F)(F)F)nc1.C[C@@H](Nc1ncnc2c1CNCC2)c1ccc(C(F)(F)F)nc1.Clc1ncnc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is HQSOQUOUXXYTAJ-MXWPCECVSA-N. The full InChI is InChI=1S/C22H18ClF3N6.C22H22F3N5.C15H16F3N5.C14H14ClN3/c1-13(14-2-5-20(28-10-14)22(24,25)26)31-21-17-11-32(7-6-18(17)29-12-30-21)19-4-3-16(23)8-15(19)9-27;1-15(17-7-8-20(26-11-17)22(23,24)25)29-21-18-13-30(10-9-19(18)27-14-28-21)12-16-5-3-2-4-6-16;1-9(10-2-3-13(20-6-10)15(16,17)18)23-14-11-7-19-5-4-12(11)21-8-22-14;15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h2-5,8,10,12-13H,6-7,11H2,1H3,(H,29,30,31);2-8,11,14-15H,9-10,12-13H2,1H3,(H,27,28,29);2-3,6,8-9,19H,4-5,7H2,1H3,(H,21,22,23);1-5,10H,6-9H2/t13-;15-;9-;/m111./s1.
What are the key properties of 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 1455.38 g/mol, XLogP of 15.17, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;5-chloro-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158559698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).