7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine

C50H51Cl2IN20O3 — CID 158426440

IUPAC7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine
SMILESCc1cc(C)c(O)cn1.Cc1cc(C)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.Cc1cc(C)c(Oc2cc(Nc3cc(N)ncn3)c3ncn(C)c3n2)cn1.Cn1cnc2c(Cl)cc(I)nc21.Nc1cc(N)ncn1
InChIInChI=1S/C18H18N8O.C14H13ClN4O.C7H5ClIN3.C7H9NO.C4H6N4/c1-10-4-11(2)20-7-13(10)27-16-5-12(17-18(25-16)26(3)9-23-17)24-15-6-14(19)21-8-22-15;1-8-4-9(2)16-6-11(8)20-12-5-10(15)13-14(18-12)19(3)7-17-13;1-12-3-10-6-4(8)2-5(9)11-7(6)12;1-5-3-6(2)8-4-7(5)9;5-3-1-4(6)8-2-7-3/h4-9H,1-3H3,(H3,19,21,22,24,25);4-7H,1-3H3;2-3H,1H3;3-4,9H,1-2H3;1-2H,(H4,5,6,7,8)
InChIKeyHBCJRKGFHBHDJZ-UHFFFAOYSA-N
MW1177.90 g/mol
LogP9.59
Rot. Bonds6

About 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine

7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine (PubChem CID 158426440) has the molecular formula C50H51Cl2IN20O3 and a molecular weight of 1177.90 g/mol. Its IUPAC name is 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine.

Molecular Properties

Compound Name7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine
PubChem CID158426440
Molecular FormulaC50H51Cl2IN20O3
Molecular Weight1177.90 g/mol
Exact Mass1176.29
IUPAC Name7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine
SMILESCc1cc(C)c(O)cn1.Cc1cc(C)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.Cc1cc(C)c(Oc2cc(Nc3cc(N)ncn3)c3ncn(C)c3n2)cn1.Cn1cnc2c(Cl)cc(I)nc21.Nc1cc(N)ncn1
InChIInChI=1S/C18H18N8O.C14H13ClN4O.C7H5ClIN3.C7H9NO.C4H6N4/c1-10-4-11(2)20-7-13(10)27-16-5-12(17-18(25-16)26(3)9-23-17)24-15-6-14(19)21-8-22-15;1-8-4-9(2)16-6-11(8)20-12-5-10(15)13-14(18-12)19(3)7-17-13;1-12-3-10-6-4(8)2-5(9)11-7(6)12;1-5-3-6(2)8-4-7(5)9;5-3-1-4(6)8-2-7-3/h4-9H,1-3H3,(H3,19,21,22,24,25);4-7H,1-3H3;2-3H,1H3;3-4,9H,1-2H3;1-2H,(H4,5,6,7,8)
InChIKeyHBCJRKGFHBHDJZ-UHFFFAOYSA-N
XLogP9.59
TPSA311.14 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.90
LogP ≤ 59.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine?
The IUPAC name of 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine (CID 158426440) is 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine.
What is the SMILES notation for 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine?
The canonical SMILES for 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine is Cc1cc(C)c(O)cn1.Cc1cc(C)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.Cc1cc(C)c(Oc2cc(Nc3cc(N)ncn3)c3ncn(C)c3n2)cn1.Cn1cnc2c(Cl)cc(I)nc21.Nc1cc(N)ncn1.
What is the InChIKey of 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine?
The InChIKey is HBCJRKGFHBHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O.C14H13ClN4O.C7H5ClIN3.C7H9NO.C4H6N4/c1-10-4-11(2)20-7-13(10)27-16-5-12(17-18(25-16)26(3)9-23-17)24-15-6-14(19)21-8-22-15;1-8-4-9(2)16-6-11(8)20-12-5-10(15)13-14(18-12)19(3)7-17-13;1-12-3-10-6-4(8)2-5(9)11-7(6)12;1-5-3-6(2)8-4-7(5)9;5-3-1-4(6)8-2-7-3/h4-9H,1-3H3,(H3,19,21,22,24,25);4-7H,1-3H3;2-3H,1H3;3-4,9H,1-2H3;1-2H,(H4,5,6,7,8).
What are the key properties of 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine?
7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine has a molecular weight of 1177.90 g/mol, XLogP of 9.59, 6 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4,6-dimethylpyridin-3-ol;4-N-[5-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]pyrimidine-4,6-diamine;pyrimidine-4,6-diamine is sourced from PubChem (CID 158426440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).