3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C23H23N7O — CID 53252694

IUPAC3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1cc(-c2cnc(-c3cnc4ccc(C#N)cn34)nc2NCC(C)(C)C)ccn1
InChIInChI=1S/C23H23N7O/c1-23(2,3)14-28-21-17(16-7-8-25-20(9-16)31-4)11-27-22(29-21)18-12-26-19-6-5-15(10-24)13-30(18)19/h5-9,11-13H,14H2,1-4H3,(H,27,28,29)
InChIKeyATCNYCNFNNXYLF-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.19
Rot. Bonds5

About 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 53252694) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID53252694
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1cc(-c2cnc(-c3cnc4ccc(C#N)cn34)nc2NCC(C)(C)C)ccn1
InChIInChI=1S/C23H23N7O/c1-23(2,3)14-28-21-17(16-7-8-25-20(9-16)31-4)11-27-22(29-21)18-12-26-19-6-5-15(10-24)13-30(18)19/h5-9,11-13H,14H2,1-4H3,(H,27,28,29)
InChIKeyATCNYCNFNNXYLF-UHFFFAOYSA-N
XLogP4.19
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 53252694) is 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is COc1cc(-c2cnc(-c3cnc4ccc(C#N)cn34)nc2NCC(C)(C)C)ccn1.
What is the InChIKey of 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is ATCNYCNFNNXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-23(2,3)14-28-21-17(16-7-8-25-20(9-16)31-4)11-27-22(29-21)18-12-26-19-6-5-15(10-24)13-30(18)19/h5-9,11-13H,14H2,1-4H3,(H,27,28,29).
What are the key properties of 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 413.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropylamino)-5-(2-methoxy-4-pyridinyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 53252694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).