1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile

C20H24N8 — CID 90183914

IUPAC1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
SMILESCc1nc2cnc(Nc3ccnc(N4CCCC(C#N)C4)n3)cc2n1C(C)C
InChIInChI=1S/C20H24N8/c1-13(2)28-14(3)24-16-11-23-19(9-17(16)28)25-18-6-7-22-20(26-18)27-8-4-5-15(10-21)12-27/h6-7,9,11,13,15H,4-5,8,12H2,1-3H3,(H,22,23,25,26)
InChIKeyXOWFVAIWSSVMAT-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.59
Rot. Bonds4

About 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile

1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile (PubChem CID 90183914) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
PubChem CID90183914
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
SMILESCc1nc2cnc(Nc3ccnc(N4CCCC(C#N)C4)n3)cc2n1C(C)C
InChIInChI=1S/C20H24N8/c1-13(2)28-14(3)24-16-11-23-19(9-17(16)28)25-18-6-7-22-20(26-18)27-8-4-5-15(10-21)12-27/h6-7,9,11,13,15H,4-5,8,12H2,1-3H3,(H,22,23,25,26)
InChIKeyXOWFVAIWSSVMAT-UHFFFAOYSA-N
XLogP3.59
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 144632896
N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 148710744
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;molecular hydrogen
CID 144632895
N-[2-[(3S,4R)-3-fluoro-4-methylsulfanylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 118661693
2-methyl-N-[2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 91971390
2-methyl-1-propan-2-yl-N-[2-(4-propan-2-ylsulfinylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 129271175
N-[2-[(3R,4R)-3-azido-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183494
2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 118661753
2-methyl-1-propan-2-yl-N-[2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 90184058
N-[2-[4-imino-3-(methyliminomethyl)piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 123361150
(3R,4S)-3-methyl-1-[4-[[2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 90183593
2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90177808

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
The IUPAC name of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile (CID 90183914) is 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile is Cc1nc2cnc(Nc3ccnc(N4CCCC(C#N)C4)n3)cc2n1C(C)C.
What is the InChIKey of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
The InChIKey is XOWFVAIWSSVMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-13(2)28-14(3)24-16-11-23-19(9-17(16)28)25-18-6-7-22-20(26-18)27-8-4-5-15(10-21)12-27/h6-7,9,11,13,15H,4-5,8,12H2,1-3H3,(H,22,23,25,26).
What are the key properties of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile has a molecular weight of 376.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile is sourced from PubChem (CID 90183914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).