(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide

C20H22N8O — CID 53253012

IUPAC(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1
InChIInChI=1S/C20H22N8O/c1-26(2)20(29)27-9-3-4-15(13-27)24-17-7-8-22-19(25-17)16-11-23-18-6-5-14(10-21)12-28(16)18/h5-8,11-12,15H,3-4,9,13H2,1-2H3,(H,22,24,25)/t15-/m1/s1
InChIKeyWSYKBDCMPJLRQX-OAHLLOKOSA-N
MW390.45 g/mol
LogP2.22
Rot. Bonds3

About (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide

(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 53253012) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID53253012
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1
InChIInChI=1S/C20H22N8O/c1-26(2)20(29)27-9-3-4-15(13-27)24-17-7-8-22-19(25-17)16-11-23-18-6-5-14(10-21)12-28(16)18/h5-8,11-12,15H,3-4,9,13H2,1-2H3,(H,22,24,25)/t15-/m1/s1
InChIKeyWSYKBDCMPJLRQX-OAHLLOKOSA-N
XLogP2.22
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide (CID 53253012) is (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.
What is the InChIKey of (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is WSYKBDCMPJLRQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N8O/c1-26(2)20(29)27-9-3-4-15(13-27)24-17-7-8-22-19(25-17)16-11-23-18-6-5-14(10-21)12-28(16)18/h5-8,11-12,15H,3-4,9,13H2,1-2H3,(H,22,24,25)/t15-/m1/s1.
What are the key properties of (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide?
(3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 53253012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).