2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride

C57H61Cl6FN16O6S3 — CID 159249797

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CS(=O)(=O)N1CCc2c(nc(-c3cccc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1.CS(=O)(=O)N1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1.Cl.Clc1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C24H24FN5O2S.C18H20ClN5O2S.C8H9Cl2N3O2S.C7H7Cl2N3.ClH/c1-33(31,32)30-12-10-20-22(15-30)28-23(16-5-4-6-18(25)13-16)29-24(20)26-11-9-17-14-27-21-8-3-2-7-19(17)21;1-27(25,26)24-9-7-14-16(11-24)22-18(19)23-17(14)20-8-6-12-10-21-15-5-3-2-4-13(12)15;1-16(14,15)13-3-2-5-6(4-13)11-8(10)12-7(5)9;8-6-4-1-2-10-3-5(4)11-7(9)12-6;/h2-8,13-14,27H,9-12,15H2,1H3,(H,26,28,29);2-5,10,21H,6-9,11H2,1H3,(H,20,22,23);2-4H2,1H3;10H,1-3H2;1H
InChIKeyHYPMKSBBXMIUQT-UHFFFAOYSA-N
MW1394.14 g/mol
LogP9.27
Rot. Bonds12

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 159249797) has the molecular formula C57H61Cl6FN16O6S3 and a molecular weight of 1394.14 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID159249797
Molecular FormulaC57H61Cl6FN16O6S3
Molecular Weight1394.14 g/mol
Exact Mass1390.22
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CS(=O)(=O)N1CCc2c(nc(-c3cccc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1.CS(=O)(=O)N1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1.Cl.Clc1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C24H24FN5O2S.C18H20ClN5O2S.C8H9Cl2N3O2S.C7H7Cl2N3.ClH/c1-33(31,32)30-12-10-20-22(15-30)28-23(16-5-4-6-18(25)13-16)29-24(20)26-11-9-17-14-27-21-8-3-2-7-19(17)21;1-27(25,26)24-9-7-14-16(11-24)22-18(19)23-17(14)20-8-6-12-10-21-15-5-3-2-4-13(12)15;1-16(14,15)13-3-2-5-6(4-13)11-8(10)12-7(5)9;8-6-4-1-2-10-3-5(4)11-7(9)12-6;/h2-8,13-14,27H,9-12,15H2,1H3,(H,26,28,29);2-5,10,21H,6-9,11H2,1H3,(H,20,22,23);2-4H2,1H3;10H,1-3H2;1H
InChIKeyHYPMKSBBXMIUQT-UHFFFAOYSA-N
XLogP9.27
TPSA282.93 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.14
LogP ≤ 59.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10421765, Example 71
CID 137366254
US10421765, Example 11a
CID 137366256
US10421765, Example 60
CID 137366314
US10421765, Example 7
CID 137366350
US10421765, Example 73
CID 137366382
US10421765, Example 72
CID 137366487
US10745420, Example 11a
CID 155903336
US12221439, Example 12
CID 146405501
US12221439, Example 2
CID 146405513
US12221439, Example 25
CID 146409450
US10421765, Example 20
CID 137366358
N-[2-[[2-[6-[[3-amino-4-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide
CID 126687057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride (CID 159249797) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride is CS(=O)(=O)N1CCc2c(Cl)nc(Cl)nc2C1.CS(=O)(=O)N1CCc2c(nc(-c3cccc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1.CS(=O)(=O)N1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1.Cl.Clc1nc(Cl)c2c(n1)CNCC2.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is HYPMKSBBXMIUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S.C18H20ClN5O2S.C8H9Cl2N3O2S.C7H7Cl2N3.ClH/c1-33(31,32)30-12-10-20-22(15-30)28-23(16-5-4-6-18(25)13-16)29-24(20)26-11-9-17-14-27-21-8-3-2-7-19(17)21;1-27(25,26)24-9-7-14-16(11-24)22-18(19)23-17(14)20-8-6-12-10-21-15-5-3-2-4-13(12)15;1-16(14,15)13-3-2-5-6(4-13)11-8(10)12-7(5)9;8-6-4-1-2-10-3-5(4)11-7(9)12-6;/h2-8,13-14,27H,9-12,15H2,1H3,(H,26,28,29);2-5,10,21H,6-9,11H2,1H3,(H,20,22,23);2-4H2,1H3;10H,1-3H2;1H.
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 1394.14 g/mol, XLogP of 9.27, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2,4-dichloro-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 159249797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).