N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C26H34F3N7O3 — CID 90177721

IUPACN-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COC3CCCCO3)n4C(C)C)n2)CC1C(F)(F)F
InChIInChI=1S/C26H34F3N7O3/c1-16(2)36-19-12-22(31-13-18(19)32-23(36)15-39-24-6-4-5-11-38-24)33-21-7-9-30-25(34-21)35-10-8-20(37-3)17(14-35)26(27,28)29/h7,9,12-13,16-17,20,24H,4-6,8,10-11,14-15H2,1-3H3,(H,30,31,33,34)
InChIKeyGHVBHIWOBFAVKO-UHFFFAOYSA-N
MW549.60 g/mol
LogP4.99
Rot. Bonds8

About N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90177721) has the molecular formula C26H34F3N7O3 and a molecular weight of 549.60 g/mol. Its IUPAC name is N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90177721
Molecular FormulaC26H34F3N7O3
Molecular Weight549.60 g/mol
Exact Mass549.27
IUPAC NameN-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(COC3CCCCO3)n4C(C)C)n2)CC1C(F)(F)F
InChIInChI=1S/C26H34F3N7O3/c1-16(2)36-19-12-22(31-13-18(19)32-23(36)15-39-24-6-4-5-11-38-24)33-21-7-9-30-25(34-21)35-10-8-20(37-3)17(14-35)26(27,28)29/h7,9,12-13,16-17,20,24H,4-6,8,10-11,14-15H2,1-3H3,(H,30,31,33,34)
InChIKeyGHVBHIWOBFAVKO-UHFFFAOYSA-N
XLogP4.99
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90177721) is N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COC3CCCCO3)n4C(C)C)n2)CC1C(F)(F)F.
What is the InChIKey of N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is GHVBHIWOBFAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N7O3/c1-16(2)36-19-12-22(31-13-18(19)32-23(36)15-39-24-6-4-5-11-38-24)33-21-7-9-30-25(34-21)35-10-8-20(37-3)17(14-35)26(27,28)29/h7,9,12-13,16-17,20,24H,4-6,8,10-11,14-15H2,1-3H3,(H,30,31,33,34).
What are the key properties of N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 549.60 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methoxy-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]-2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90177721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).