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

C23H22F3N5O2 — CID 139424841

IUPAC[4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nc3)CC2)ncc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H22F3N5O2/c1-33-19-10-18(28-13-17(19)16-2-4-20(29-12-16)23(24,25)26)22(32)31-8-6-14(7-9-31)15-3-5-21(27)30-11-15/h2-5,10-14H,6-9H2,1H3,(H2,27,30)
InChIKeyCUTLLIJLDJHOQL-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.17
Rot. Bonds4

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

[4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone (PubChem CID 139424841) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone
PubChem CID139424841
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name[4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nc3)CC2)ncc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H22F3N5O2/c1-33-19-10-18(28-13-17(19)16-2-4-20(29-12-16)23(24,25)26)22(32)31-8-6-14(7-9-31)15-3-5-21(27)30-11-15/h2-5,10-14H,6-9H2,1H3,(H2,27,30)
InChIKeyCUTLLIJLDJHOQL-UHFFFAOYSA-N
XLogP4.17
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone (CID 139424841) is [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone is COc1cc(C(=O)N2CCC(c3ccc(N)nc3)CC2)ncc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone?
The InChIKey is CUTLLIJLDJHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-33-19-10-18(28-13-17(19)16-2-4-20(29-12-16)23(24,25)26)22(32)31-8-6-14(7-9-31)15-3-5-21(27)30-11-15/h2-5,10-14H,6-9H2,1H3,(H2,27,30).
What are the key properties of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone?
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone has a molecular weight of 457.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanone is sourced from PubChem (CID 139424841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).