6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine

C48H40BrCl3N18O6 — CID 159645777

IUPAC6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine
SMILESCC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n21.Nc1ncnc2ccncc12
InChIInChI=1S/2C16H13ClN6O2.C9H8BrClN2O2.C7H6N4/c2*1-16(2)22-14(24)12-9(17)5-11(15(25)23(12)16)21-13-8-6-18-4-3-10(8)19-7-20-13;1-9(2)12-7(14)6-5(11)3-4(10)8(15)13(6)9;8-7-5-3-9-2-1-6(5)10-4-11-7/h2*3-7H,1-2H3,(H,22,24)(H,19,20,21);3H,1-2H3,(H,12,14);1-4H,(H2,8,10,11)
InChIKeyMQXZPJNHQMMZLE-UHFFFAOYSA-N
MW1151.23 g/mol
LogP6.35
Rot. Bonds4

About 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine

6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 159645777) has the molecular formula C48H40BrCl3N18O6 and a molecular weight of 1151.23 g/mol. Its IUPAC name is 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine
PubChem CID159645777
Molecular FormulaC48H40BrCl3N18O6
Molecular Weight1151.23 g/mol
Exact Mass1148.16
IUPAC Name6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine
SMILESCC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n21.Nc1ncnc2ccncc12
InChIInChI=1S/2C16H13ClN6O2.C9H8BrClN2O2.C7H6N4/c2*1-16(2)22-14(24)12-9(17)5-11(15(25)23(12)16)21-13-8-6-18-4-3-10(8)19-7-20-13;1-9(2)12-7(14)6-5(11)3-4(10)8(15)13(6)9;8-7-5-3-9-2-1-6(5)10-4-11-7/h2*3-7H,1-2H3,(H,22,24)(H,19,20,21);3H,1-2H3,(H,12,14);1-4H,(H2,8,10,11)
InChIKeyMQXZPJNHQMMZLE-UHFFFAOYSA-N
XLogP6.35
TPSA319.39 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001151.23
LogP ≤ 56.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine (CID 159645777) is 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine is CC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n21.Nc1ncnc2ccncc12.
What is the InChIKey of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is MQXZPJNHQMMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13ClN6O2.C9H8BrClN2O2.C7H6N4/c2*1-16(2)22-14(24)12-9(17)5-11(15(25)23(12)16)21-13-8-6-18-4-3-10(8)19-7-20-13;1-9(2)12-7(14)6-5(11)3-4(10)8(15)13(6)9;8-7-5-3-9-2-1-6(5)10-4-11-7/h2*3-7H,1-2H3,(H,22,24)(H,19,20,21);3H,1-2H3,(H,12,14);1-4H,(H2,8,10,11).
What are the key properties of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine?
6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 1151.23 g/mol, XLogP of 6.35, 4 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-chloro-3,3-dimethyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159645777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).