[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone

C22H27F3N4O4 — CID 175421877

IUPAC[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1OC(F)C(C)C(F)F
InChIInChI=1S/C22H27F3N4O4/c1-12(20(23)24)21(25)33-18-11-27-15(8-17(18)32-3)22(30)29-6-4-13(5-7-29)14-10-28-19(26)9-16(14)31-2/h8-13,20-21H,4-7H2,1-3H3,(H2,26,28)
InChIKeyRVLCNIUCBSOEIT-UHFFFAOYSA-N
MW468.48 g/mol
LogP3.67
Rot. Bonds8

About [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone (PubChem CID 175421877) has the molecular formula C22H27F3N4O4 and a molecular weight of 468.48 g/mol. Its IUPAC name is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
PubChem CID175421877
Molecular FormulaC22H27F3N4O4
Molecular Weight468.48 g/mol
Exact Mass468.20
IUPAC Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1OC(F)C(C)C(F)F
InChIInChI=1S/C22H27F3N4O4/c1-12(20(23)24)21(25)33-18-11-27-15(8-17(18)32-3)22(30)29-6-4-13(5-7-29)14-10-28-19(26)9-16(14)31-2/h8-13,20-21H,4-7H2,1-3H3,(H2,26,28)
InChIKeyRVLCNIUCBSOEIT-UHFFFAOYSA-N
XLogP3.67
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
CID 138675009
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride
CID 159550160
[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone
CID 175421866
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
[5-[(2-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265069
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
CID 138674918
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
CID 159154644
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155411279
[4-[(3Z,5E)-6-amino-4-methoxy-7-methylocta-1,3,5-trien-3-yl]piperidin-1-yl]-(4-methoxy-5-propan-2-yloxy-2-pyridinyl)methanone
CID 176715576

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone?
The IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone (CID 175421877) is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone is COc1cc(C(=O)N2CCC(c3cnc(N)cc3OC)CC2)ncc1OC(F)C(C)C(F)F.
What is the InChIKey of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone?
The InChIKey is RVLCNIUCBSOEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O4/c1-12(20(23)24)21(25)33-18-11-27-15(8-17(18)32-3)22(30)29-6-4-13(5-7-29)14-10-28-19(26)9-16(14)31-2/h8-13,20-21H,4-7H2,1-3H3,(H2,26,28).
What are the key properties of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone?
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone has a molecular weight of 468.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 175421877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).