2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole

C86H89Cl3N22 — CID 167662627

IUPAC2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole
SMILESC.C.C#Cc1ccc2[nH]ncc2c1.CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(C#Cc5ccc6[nH]ncc6c5)n4)n2)C3)CC1.CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(Cl)n4)n2)C3)CC1.CN1CCN(c2ccc3c(c2)CNC3)CC1.Clc1cccc(-c2ccnc(Cl)n2)n1
InChIInChI=1S/C31H28N8.C22H23ClN6.C13H19N3.C9H5Cl2N3.C9H6N2.2CH4/c1-37-13-15-38(16-14-37)27-9-7-23-20-39(21-25(23)18-27)31-32-12-11-30(35-31)29-4-2-3-26(34-29)8-5-22-6-10-28-24(17-22)19-33-36-28;1-27-9-11-28(12-10-27)18-6-5-16-14-29(15-17(16)13-18)22-24-8-7-20(26-22)19-3-2-4-21(23)25-19;1-15-4-6-16(7-5-15)13-3-2-11-9-14-10-12(11)8-13;10-8-3-1-2-6(13-8)7-4-5-12-9(11)14-7;1-2-7-3-4-9-8(5-7)6-10-11-9;;/h2-4,6-7,9-12,17-19H,13-16,20-21H2,1H3,(H,33,36);2-8,13H,9-12,14-15H2,1H3;2-3,8,14H,4-7,9-10H2,1H3;1-5H;1,3-6H,(H,10,11);2*1H4
InChIKeySEAKABDOOKVJED-UHFFFAOYSA-N
MW1537.17 g/mol
LogP14.25
Rot. Bonds8

About 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole

2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole (PubChem CID 167662627) has the molecular formula C86H89Cl3N22 and a molecular weight of 1537.17 g/mol. Its IUPAC name is 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole.

Molecular Properties

Compound Name2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole
PubChem CID167662627
Molecular FormulaC86H89Cl3N22
Molecular Weight1537.17 g/mol
Exact Mass1534.67
IUPAC Name2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole
SMILESC.C.C#Cc1ccc2[nH]ncc2c1.CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(C#Cc5ccc6[nH]ncc6c5)n4)n2)C3)CC1.CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(Cl)n4)n2)C3)CC1.CN1CCN(c2ccc3c(c2)CNC3)CC1.Clc1cccc(-c2ccnc(Cl)n2)n1
InChIInChI=1S/C31H28N8.C22H23ClN6.C13H19N3.C9H5Cl2N3.C9H6N2.2CH4/c1-37-13-15-38(16-14-37)27-9-7-23-20-39(21-25(23)18-27)31-32-12-11-30(35-31)29-4-2-3-26(34-29)8-5-22-6-10-28-24(17-22)19-33-36-28;1-27-9-11-28(12-10-27)18-6-5-16-14-29(15-17(16)13-18)22-24-8-7-20(26-22)19-3-2-4-21(23)25-19;1-15-4-6-16(7-5-15)13-3-2-11-9-14-10-12(11)8-13;10-8-3-1-2-6(13-8)7-4-5-12-9(11)14-7;1-2-7-3-4-9-8(5-7)6-10-11-9;;/h2-4,6-7,9-12,17-19H,13-16,20-21H2,1H3,(H,33,36);2-8,13H,9-12,14-15H2,1H3;2-3,8,14H,4-7,9-10H2,1H3;1-5H;1,3-6H,(H,10,11);2*1H4
InChIKeySEAKABDOOKVJED-UHFFFAOYSA-N
XLogP14.25
TPSA211.32 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.17
LogP ≤ 514.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole with MolForge

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Related Compounds

5-[2-[4-fluoro-6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole
CID 164941745
5-[2-[2-[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1H-indazole
CID 155590077
5-[2-[2-[2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1H-indazole
CID 155590025
5-[2-[2-[2-[5-(trifluoromethoxy)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1H-indazole
CID 163362533
N'-[2-[4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl]-N-methylethane-1,2-diamine
CID 155590126
5-[2-[2-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1H-indazole;6-[2-[2-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]isoquinolin-1-amine;5-methoxy-2-[4-[4-[2-(1H-pyrazol-4-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindole;5-methoxy-2-[4-[4-(2-pyridin-4-ylethynyl)pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindole
CID 167585458
6-[2-[2-[2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1,2-dihydroquinoline
CID 155590013
4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]-N-(pyrimidin-2-ylmethyl)pyrimidin-2-amine
CID 162683464
N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
CID 162683473
tert-butyl 5-[2-[2-[2-[6-[2-(dimethylamino)-2-oxoethoxy]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]indazole-1-carboxylate;deuterioethane;2-[[2-[4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetaldehyde
CID 167697757
2-chloropyrimidine-4-carbonitrile;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-4-carbonitrile
CID 159566595
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole?
The IUPAC name of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole (CID 167662627) is 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole.
What is the SMILES notation for 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole?
The canonical SMILES for 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole is C.C.C#Cc1ccc2[nH]ncc2c1.CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(C#Cc5ccc6[nH]ncc6c5)n4)n2)C3)CC1.CN1CCN(c2ccc3c(c2)CN(c2nccc(-c4cccc(Cl)n4)n2)C3)CC1.CN1CCN(c2ccc3c(c2)CNC3)CC1.Clc1cccc(-c2ccnc(Cl)n2)n1.
What is the InChIKey of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole?
The InChIKey is SEAKABDOOKVJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8.C22H23ClN6.C13H19N3.C9H5Cl2N3.C9H6N2.2CH4/c1-37-13-15-38(16-14-37)27-9-7-23-20-39(21-25(23)18-27)31-32-12-11-30(35-31)29-4-2-3-26(34-29)8-5-22-6-10-28-24(17-22)19-33-36-28;1-27-9-11-28(12-10-27)18-6-5-16-14-29(15-17(16)13-18)22-24-8-7-20(26-22)19-3-2-4-21(23)25-19;1-15-4-6-16(7-5-15)13-3-2-11-9-14-10-12(11)8-13;10-8-3-1-2-6(13-8)7-4-5-12-9(11)14-7;1-2-7-3-4-9-8(5-7)6-10-11-9;;/h2-4,6-7,9-12,17-19H,13-16,20-21H2,1H3,(H,33,36);2-8,13H,9-12,14-15H2,1H3;2-3,8,14H,4-7,9-10H2,1H3;1-5H;1,3-6H,(H,10,11);2*1H4.
What are the key properties of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole?
2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole has a molecular weight of 1537.17 g/mol, XLogP of 14.25, 8 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole;5-ethynyl-1H-indazole;methane;5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-isoindole;5-[2-[6-[2-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole is sourced from PubChem (CID 167662627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).