N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C22H32N8O — CID 90183483

IUPACN-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1(CCN)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28)
InChIKeyCGDZTEHAPAOWKF-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.19
Rot. Bonds7

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

N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183483) has the molecular formula C22H32N8O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183483
Molecular FormulaC22H32N8O
Molecular Weight424.55 g/mol
Exact Mass424.27
IUPAC NameN-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1(CCN)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28)
InChIKeyCGDZTEHAPAOWKF-UHFFFAOYSA-N
XLogP3.19
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90183483) is N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is COC1(CCN)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is CGDZTEHAPAOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28).
What are the key properties of N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 424.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).