3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C22H21N7 — CID 53252735

IUPAC3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)(C)CNc1nc(-c2cnc3ccc(C#N)cn23)ncc1-c1cccnc1
InChIInChI=1S/C22H21N7/c1-22(2,3)14-27-20-17(16-5-4-8-24-10-16)11-26-21(28-20)18-12-25-19-7-6-15(9-23)13-29(18)19/h4-8,10-13H,14H2,1-3H3,(H,26,27,28)
InChIKeyGMECTIGEFPKLNU-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.18
Rot. Bonds4

About 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 53252735) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID53252735
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)(C)CNc1nc(-c2cnc3ccc(C#N)cn23)ncc1-c1cccnc1
InChIInChI=1S/C22H21N7/c1-22(2,3)14-27-20-17(16-5-4-8-24-10-16)11-26-21(28-20)18-12-25-19-7-6-15(9-23)13-29(18)19/h4-8,10-13H,14H2,1-3H3,(H,26,27,28)
InChIKeyGMECTIGEFPKLNU-UHFFFAOYSA-N
XLogP4.18
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 53252735) is 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)(C)CNc1nc(-c2cnc3ccc(C#N)cn23)ncc1-c1cccnc1.
What is the InChIKey of 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is GMECTIGEFPKLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-22(2,3)14-27-20-17(16-5-4-8-24-10-16)11-26-21(28-20)18-12-25-19-7-6-15(9-23)13-29(18)19/h4-8,10-13H,14H2,1-3H3,(H,26,27,28).
What are the key properties of 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 383.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 53252735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).