5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C24H19F3N6O3 — CID 118326821

IUPAC5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(N)=O)n1)C(C)(C)C(=O)N2
InChIInChI=1S/C24H19F3N6O3/c1-10-18(21-30-17(19(28)34)15-20(31-21)32-23(35)24(15,2)3)33-8-4-5-14(22(33)29-10)36-9-11-12(25)6-7-13(26)16(11)27/h4-8H,9H2,1-3H3,(H2,28,34)(H,30,31,32,35)
InChIKeyHRSHUMJYDNERNI-UHFFFAOYSA-N
MW496.45 g/mol
LogP3.42
Rot. Bonds5

About 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 118326821) has the molecular formula C24H19F3N6O3 and a molecular weight of 496.45 g/mol. Its IUPAC name is 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID118326821
Molecular FormulaC24H19F3N6O3
Molecular Weight496.45 g/mol
Exact Mass496.15
IUPAC Name5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(N)=O)n1)C(C)(C)C(=O)N2
InChIInChI=1S/C24H19F3N6O3/c1-10-18(21-30-17(19(28)34)15-20(31-21)32-23(35)24(15,2)3)33-8-4-5-14(22(33)29-10)36-9-11-12(25)6-7-13(26)16(11)27/h4-8H,9H2,1-3H3,(H2,28,34)(H,30,31,32,35)
InChIKeyHRSHUMJYDNERNI-UHFFFAOYSA-N
XLogP3.42
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 118326821) is 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(N)=O)n1)C(C)(C)C(=O)N2.
What is the InChIKey of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is HRSHUMJYDNERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O3/c1-10-18(21-30-17(19(28)34)15-20(31-21)32-23(35)24(15,2)3)33-8-4-5-14(22(33)29-10)36-9-11-12(25)6-7-13(26)16(11)27/h4-8H,9H2,1-3H3,(H2,28,34)(H,30,31,32,35).
What are the key properties of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 496.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 118326821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).