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

C23H34N8O — CID 90183635

IUPACN-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1(CN(C)C)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C23H34N8O/c1-16(2)31-17(3)26-18-14-25-21(13-19(18)31)27-20-7-10-24-22(28-20)30-11-8-23(32-6,9-12-30)15-29(4)5/h7,10,13-14,16H,8-9,11-12,15H2,1-6H3,(H,24,25,27,28)
InChIKeyIBVWYYCFTLKCAL-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.40
Rot. Bonds7

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

N-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183635) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183635
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC NameN-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1(CN(C)C)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C23H34N8O/c1-16(2)31-17(3)26-18-14-25-21(13-19(18)31)27-20-7-10-24-22(28-20)30-11-8-23(32-6,9-12-30)15-29(4)5/h7,10,13-14,16H,8-9,11-12,15H2,1-6H3,(H,24,25,27,28)
InChIKeyIBVWYYCFTLKCAL-UHFFFAOYSA-N
XLogP3.40
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90183635) is N-[2-[4-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is COC1(CN(C)C)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is IBVWYYCFTLKCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O/c1-16(2)31-17(3)26-18-14-25-21(13-19(18)31)27-20-7-10-24-22(28-20)30-11-8-23(32-6,9-12-30)15-29(4)5/h7,10,13-14,16H,8-9,11-12,15H2,1-6H3,(H,24,25,27,28).
What are the key properties of N-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 438.58 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).