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

C23H24FN5O4 — CID 138674748

IUPAC[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3cnc(N)cc3OC)CC2)ncc1Oc1ccc(F)cc1
InChIInChI=1S/C23H24FN5O4/c1-31-19-12-22(25)27-13-18(19)28-7-9-29(10-8-28)23(30)17-11-20(32-2)21(14-26-17)33-16-5-3-15(24)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H2,25,27)
InChIKeyOEOSTMIGRJCBNK-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.97
Rot. Bonds6

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

[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone (PubChem CID 138674748) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone
PubChem CID138674748
Molecular FormulaC23H24FN5O4
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3cnc(N)cc3OC)CC2)ncc1Oc1ccc(F)cc1
InChIInChI=1S/C23H24FN5O4/c1-31-19-12-22(25)27-13-18(19)28-7-9-29(10-8-28)23(30)17-11-20(32-2)21(14-26-17)33-16-5-3-15(24)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H2,25,27)
InChIKeyOEOSTMIGRJCBNK-UHFFFAOYSA-N
XLogP2.97
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone?
The IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone (CID 138674748) is [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone is COc1cc(C(=O)N2CCN(c3cnc(N)cc3OC)CC2)ncc1Oc1ccc(F)cc1.
What is the InChIKey of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone?
The InChIKey is OEOSTMIGRJCBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-31-19-12-22(25)27-13-18(19)28-7-9-29(10-8-28)23(30)17-11-20(32-2)21(14-26-17)33-16-5-3-15(24)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H2,25,27).
What are the key properties of [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone?
[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone has a molecular weight of 453.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 138674748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).