2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine

C64H54BCl3F2N14O2 — CID 157448810

IUPAC2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine
SMILESClc1nc(Cl)c2ncccc2n1.Clc1nc(NCCC2=CCc3ccccc32)c2ncccc2n1.Fc1cncc(-c2nc(NCCC3=CCc4ccccc43)c3ncccc3n2)c1.NCCC1=CCc2ccccc21.OB(O)c1cncc(F)c1
InChIInChI=1S/C23H18FN5.C18H15ClN4.C11H13N.C7H3Cl2N3.C5H5BFNO2/c24-18-12-17(13-25-14-18)22-28-20-6-3-10-26-21(20)23(29-22)27-11-9-16-8-7-15-4-1-2-5-19(15)16;19-18-22-15-6-3-10-20-16(15)17(23-18)21-11-9-13-8-7-12-4-1-2-5-14(12)13;12-8-7-10-6-5-9-3-1-2-4-11(9)10;8-6-5-4(2-1-3-10-5)11-7(9)12-6;7-5-1-4(6(9)10)2-8-3-5/h1-6,8,10,12-14H,7,9,11H2,(H,27,28,29);1-6,8,10H,7,9,11H2,(H,21,22,23);1-4,6H,5,7-8,12H2;1-3H;1-3,9-10H
InChIKeyBSNXJCCXKSCQNE-UHFFFAOYSA-N
MW1206.40 g/mol
LogP11.99
Rot. Bonds12

About 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine

2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine (PubChem CID 157448810) has the molecular formula C64H54BCl3F2N14O2 and a molecular weight of 1206.40 g/mol. Its IUPAC name is 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine
PubChem CID157448810
Molecular FormulaC64H54BCl3F2N14O2
Molecular Weight1206.40 g/mol
Exact Mass1204.37
IUPAC Name2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine
SMILESClc1nc(Cl)c2ncccc2n1.Clc1nc(NCCC2=CCc3ccccc32)c2ncccc2n1.Fc1cncc(-c2nc(NCCC3=CCc4ccccc43)c3ncccc3n2)c1.NCCC1=CCc2ccccc21.OB(O)c1cncc(F)c1
InChIInChI=1S/C23H18FN5.C18H15ClN4.C11H13N.C7H3Cl2N3.C5H5BFNO2/c24-18-12-17(13-25-14-18)22-28-20-6-3-10-26-21(20)23(29-22)27-11-9-16-8-7-15-4-1-2-5-19(15)16;19-18-22-15-6-3-10-20-16(15)17(23-18)21-11-9-13-8-7-12-4-1-2-5-14(12)13;12-8-7-10-6-5-9-3-1-2-4-11(9)10;8-6-5-4(2-1-3-10-5)11-7(9)12-6;7-5-1-4(6(9)10)2-8-3-5/h1-6,8,10,12-14H,7,9,11H2,(H,27,28,29);1-6,8,10H,7,9,11H2,(H,21,22,23);1-4,6H,5,7-8,12H2;1-3H;1-3,9-10H
InChIKeyBSNXJCCXKSCQNE-UHFFFAOYSA-N
XLogP11.99
TPSA232.33 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001206.40
LogP ≤ 511.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine 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

6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine
CID 59769242
2-N,4-N-bis[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrimidine-2,4-diamine
CID 68260945
N-(2-chloro-3-fluorophenyl)-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
CID 73507398
N-[[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]methyl]-9-[[6-[[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]methylamino]purin-9-yl]oxy-(2,5-dichloroquinolin-3-yl)boranyl]oxypurin-6-amine
CID 87427617
5-chloro-N-[4-[5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3-fluoropyridin-2-amine
CID 90098731
2-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-pyridinyl]-5-cyclopropyl-N-methyl-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098734
4-(5-chloro-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 90098831
4-(5-chloro-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,4-difluorophenyl)pyridin-2-amine
CID 90098873
N-[4-[8-chloro-5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3,5,6-trifluoropyridin-2-amine
CID 90098874
8-chloro-5-cyclopropyl-N-methyl-N-piperidin-4-yl-2-[2-[(3,5,6-trifluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 90098875
4-(5-chloro-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2,3,6-trifluorophenyl)pyridin-2-amine
CID 90098991
N-[4-[8-chloro-5-cyclopropyl-4-[(piperidin-4-ylamino)methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3,5-difluoropyridin-2-amine
CID 90099019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine?
The IUPAC name of 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine (CID 157448810) is 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine.
What is the SMILES notation for 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine?
The canonical SMILES for 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine is Clc1nc(Cl)c2ncccc2n1.Clc1nc(NCCC2=CCc3ccccc32)c2ncccc2n1.Fc1cncc(-c2nc(NCCC3=CCc4ccccc43)c3ncccc3n2)c1.NCCC1=CCc2ccccc21.OB(O)c1cncc(F)c1.
What is the InChIKey of 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine?
The InChIKey is BSNXJCCXKSCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5.C18H15ClN4.C11H13N.C7H3Cl2N3.C5H5BFNO2/c24-18-12-17(13-25-14-18)22-28-20-6-3-10-26-21(20)23(29-22)27-11-9-16-8-7-15-4-1-2-5-19(15)16;19-18-22-15-6-3-10-20-16(15)17(23-18)21-11-9-13-8-7-12-4-1-2-5-14(12)13;12-8-7-10-6-5-9-3-1-2-4-11(9)10;8-6-5-4(2-1-3-10-5)11-7(9)12-6;7-5-1-4(6(9)10)2-8-3-5/h1-6,8,10,12-14H,7,9,11H2,(H,27,28,29);1-6,8,10H,7,9,11H2,(H,21,22,23);1-4,6H,5,7-8,12H2;1-3H;1-3,9-10H.
What are the key properties of 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine?
2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine has a molecular weight of 1206.40 g/mol, XLogP of 11.99, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2,4-dichloropyrido[3,2-d]pyrimidine;(5-fluoro-3-pyridinyl)boronic acid;2-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine;2-(3H-inden-1-yl)ethanamine is sourced from PubChem (CID 157448810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).