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

C46H50ClN15O6 — CID 159985735

IUPAC8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane
SMILESC.CC1(C)NC(=O)c2c(C3CC3)cc(Nc3ccncn3)c(=O)n21.CC1(C)NC(=O)c2c(C3CC3)cc(Nc3ccncn3)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/2C16H17N5O2.C13H12ClN5O2.CH4/c2*1-16(2)20-14(22)13-10(9-3-4-9)7-11(15(23)21(13)16)19-12-5-6-17-8-18-12;1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9;/h2*5-9H,3-4H2,1-2H3,(H,20,22)(H,17,18,19);3-6H,1-2H3,(H,18,20)(H,15,16,17);1H4
InChIKeyOGHUCUMRLGUFBS-UHFFFAOYSA-N
MW944.46 g/mol
LogP5.50
Rot. Bonds8

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

8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane (PubChem CID 159985735) has the molecular formula C46H50ClN15O6 and a molecular weight of 944.46 g/mol. Its IUPAC name is 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane.

Molecular Properties

Compound Name8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane
PubChem CID159985735
Molecular FormulaC46H50ClN15O6
Molecular Weight944.46 g/mol
Exact Mass943.38
IUPAC Name8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane
SMILESC.CC1(C)NC(=O)c2c(C3CC3)cc(Nc3ccncn3)c(=O)n21.CC1(C)NC(=O)c2c(C3CC3)cc(Nc3ccncn3)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/2C16H17N5O2.C13H12ClN5O2.CH4/c2*1-16(2)20-14(22)13-10(9-3-4-9)7-11(15(23)21(13)16)19-12-5-6-17-8-18-12;1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9;/h2*5-9H,3-4H2,1-2H3,(H,20,22)(H,17,18,19);3-6H,1-2H3,(H,18,20)(H,15,16,17);1H4
InChIKeyOGHUCUMRLGUFBS-UHFFFAOYSA-N
XLogP5.50
TPSA266.73 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500944.46
LogP ≤ 55.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane?
The IUPAC name of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane (CID 159985735) is 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane.
What is the SMILES notation for 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane?
The canonical SMILES for 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane is C.CC1(C)NC(=O)c2c(C3CC3)cc(Nc3ccncn3)c(=O)n21.CC1(C)NC(=O)c2c(C3CC3)cc(Nc3ccncn3)c(=O)n21.CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane?
The InChIKey is OGHUCUMRLGUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17N5O2.C13H12ClN5O2.CH4/c2*1-16(2)20-14(22)13-10(9-3-4-9)7-11(15(23)21(13)16)19-12-5-6-17-8-18-12;1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9;/h2*5-9H,3-4H2,1-2H3,(H,20,22)(H,17,18,19);3-6H,1-2H3,(H,18,20)(H,15,16,17);1H4.
What are the key properties of 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane?
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane has a molecular weight of 944.46 g/mol, XLogP of 5.50, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane is sourced from PubChem (CID 159985735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).