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-carboxylic acid

C24H18F3N5O4 — CID 118336493

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-carboxylic acid
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)O)n1)C(C)(C)C(=O)N2
InChIInChI=1S/C24H18F3N5O4/c1-10-18(20-29-17(22(33)34)15-19(30-20)31-23(35)24(15,2)3)32-8-4-5-14(21(32)28-10)36-9-11-12(25)6-7-13(26)16(11)27/h4-8H,9H2,1-3H3,(H,33,34)(H,29,30,31,35)
InChIKeyMVYLGEKSKITZPX-UHFFFAOYSA-N
MW497.43 g/mol
LogP4.02
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-carboxylic acid

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-carboxylic acid (PubChem CID 118336493) has the molecular formula C24H18F3N5O4 and a molecular weight of 497.43 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-carboxylic acid.

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-carboxylic acid
PubChem CID118336493
Molecular FormulaC24H18F3N5O4
Molecular Weight497.43 g/mol
Exact Mass497.13
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-carboxylic acid
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)O)n1)C(C)(C)C(=O)N2
InChIInChI=1S/C24H18F3N5O4/c1-10-18(20-29-17(22(33)34)15-19(30-20)31-23(35)24(15,2)3)32-8-4-5-14(21(32)28-10)36-9-11-12(25)6-7-13(26)16(11)27/h4-8H,9H2,1-3H3,(H,33,34)(H,29,30,31,35)
InChIKeyMVYLGEKSKITZPX-UHFFFAOYSA-N
XLogP4.02
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.02
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-carboxylic acid 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-carboxylic acid?
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-carboxylic acid (CID 118336493) 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-carboxylic acid.
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-carboxylic acid?
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-carboxylic acid is Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)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-carboxylic acid?
The InChIKey is MVYLGEKSKITZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O4/c1-10-18(20-29-17(22(33)34)15-19(30-20)31-23(35)24(15,2)3)32-8-4-5-14(21(32)28-10)36-9-11-12(25)6-7-13(26)16(11)27/h4-8H,9H2,1-3H3,(H,33,34)(H,29,30,31,35).
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-carboxylic acid?
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-carboxylic acid has a molecular weight of 497.43 g/mol, XLogP of 4.02, 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-carboxylic acid is sourced from PubChem (CID 118336493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).