2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine

C22H31N7O2S — CID 118661753

IUPAC2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCCCS(=O)(=O)C1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C22H31N7O2S/c1-5-12-32(30,31)17-7-10-28(11-8-17)22-23-9-6-20(27-22)26-21-13-19-18(14-24-21)25-16(4)29(19)15(2)3/h6,9,13-15,17H,5,7-8,10-12H2,1-4H3,(H,23,24,26,27)
InChIKeyIOSSUAHRYFQJJG-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.65
Rot. Bonds7

About 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine

2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 118661753) has the molecular formula C22H31N7O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
PubChem CID118661753
Molecular FormulaC22H31N7O2S
Molecular Weight457.60 g/mol
Exact Mass457.23
IUPAC Name2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCCCS(=O)(=O)C1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C22H31N7O2S/c1-5-12-32(30,31)17-7-10-28(11-8-17)22-23-9-6-20(27-22)26-21-13-19-18(14-24-21)25-16(4)29(19)15(2)3/h6,9,13-15,17H,5,7-8,10-12H2,1-4H3,(H,23,24,26,27)
InChIKeyIOSSUAHRYFQJJG-UHFFFAOYSA-N
XLogP3.65
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 144632896
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
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-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 148710744
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
1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
CID 90183914
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-(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
2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90177808
[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
CID 90183617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (CID 118661753) is 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is CCCS(=O)(=O)C1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is IOSSUAHRYFQJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2S/c1-5-12-32(30,31)17-7-10-28(11-8-17)22-23-9-6-20(27-22)26-21-13-19-18(14-24-21)25-16(4)29(19)15(2)3/h6,9,13-15,17H,5,7-8,10-12H2,1-4H3,(H,23,24,26,27).
What are the key properties of 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 457.60 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 118661753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).