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

C32H28BrCl2F3N10 — CID 158406687

IUPAC4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1.Clc1ccc(N2CCc3ncnc(Br)c3C2)nc1
InChIInChI=1S/C20H18ClF3N6.C12H10BrClN4/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18;13-12-9-6-18(4-3-10(9)16-7-17-12)11-2-1-8(14)5-15-11/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29);1-2,5,7H,3-4,6H2/t12-;/m1./s1
InChIKeyGYUDMEXMHQPVIO-UTONKHPSSA-N
MW760.45 g/mol
LogP7.52
Rot. Bonds5

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

4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 158406687) has the molecular formula C32H28BrCl2F3N10 and a molecular weight of 760.45 g/mol. Its IUPAC name is 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID158406687
Molecular FormulaC32H28BrCl2F3N10
Molecular Weight760.45 g/mol
Exact Mass758.10
IUPAC Name4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1.Clc1ccc(N2CCc3ncnc(Br)c3C2)nc1
InChIInChI=1S/C20H18ClF3N6.C12H10BrClN4/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18;13-12-9-6-18(4-3-10(9)16-7-17-12)11-2-1-8(14)5-15-11/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29);1-2,5,7H,3-4,6H2/t12-;/m1./s1
InChIKeyGYUDMEXMHQPVIO-UTONKHPSSA-N
XLogP7.52
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.45
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-N-(6-chloropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 86766525
5-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2796249
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033086
N-[1-(2-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033176
N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033177
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033414
(R)-N-(1-(4-Chlorophenyl)ethyl)-6-(5-chloropyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 25033493
(R)-6-(5-Methylpyridin-2-yl)-N-(1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 25033574
[6-(5-Chloro-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-[(R)-1-(6-trifluoromethyl-pyridin-3-yl)-ethyl]-amine
CID 25033576
[6-(5-Chloro-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-[(R)-cyclopropyl-(6-trifluoromethyl-pyridin-3-yl)-methyl]-amine
CID 25033577
N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 72699719
N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033014

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 158406687) is 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1.Clc1ccc(N2CCc3ncnc(Br)c3C2)nc1.
What is the InChIKey of 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is GYUDMEXMHQPVIO-UTONKHPSSA-N. The full InChI is InChI=1S/C20H18ClF3N6.C12H10BrClN4/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18;13-12-9-6-18(4-3-10(9)16-7-17-12)11-2-1-8(14)5-15-11/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29);1-2,5,7H,3-4,6H2/t12-;/m1./s1.
What are the key properties of 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 760.45 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(5-chloro-2-pyridinyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158406687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).