3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C24H19N9O — CID 53253010

IUPAC3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4cnc5ccc(C#N)cn45)n3)C2)nc1
InChIInChI=1S/C24H19N9O/c25-10-16-3-5-19(28-12-16)24(34)32-9-1-2-18(15-32)30-21-7-8-27-23(31-21)20-13-29-22-6-4-17(11-26)14-33(20)22/h3-8,12-14,18H,1-2,9,15H2,(H,27,30,31)/t18-/m1/s1
InChIKeyZPFFLSDYSZDFFD-GOSISDBHSA-N
MW449.48 g/mol
LogP2.65
Rot. Bonds4

About 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 53253010) has the molecular formula C24H19N9O and a molecular weight of 449.48 g/mol. Its IUPAC name is 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID53253010
Molecular FormulaC24H19N9O
Molecular Weight449.48 g/mol
Exact Mass449.17
IUPAC Name3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4cnc5ccc(C#N)cn45)n3)C2)nc1
InChIInChI=1S/C24H19N9O/c25-10-16-3-5-19(28-12-16)24(34)32-9-1-2-18(15-32)30-21-7-8-27-23(31-21)20-13-29-22-6-4-17(11-26)14-33(20)22/h3-8,12-14,18H,1-2,9,15H2,(H,27,30,31)/t18-/m1/s1
InChIKeyZPFFLSDYSZDFFD-GOSISDBHSA-N
XLogP2.65
TPSA135.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 53253012
tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241993
3-[4-[[1-(2-cyanocyclopropanecarbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 67256302
(1-aminocyclopropyl)-[(3R)-3-[[2-(6-ethynylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 88937669
(3S)-2-butyl-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67241136
1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 141299002
2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 67240178
2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]sulfonylacetonitrile
CID 53260643
3-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]-methylamino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 53253055
6-[[1-(2-cyanoacetyl)piperidin-3-yl]amino]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4-carbonitrile
CID 67256309
1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one
CID 53260780
1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 67257420

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 53253010) is 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4cnc5ccc(C#N)cn45)n3)C2)nc1.
What is the InChIKey of 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is ZPFFLSDYSZDFFD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H19N9O/c25-10-16-3-5-19(28-12-16)24(34)32-9-1-2-18(15-32)30-21-7-8-27-23(31-21)20-13-29-22-6-4-17(11-26)14-33(20)22/h3-8,12-14,18H,1-2,9,15H2,(H,27,30,31)/t18-/m1/s1.
What are the key properties of 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 449.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 53253010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).