1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol

C24H33FN4O4 — CID 132779731

IUPAC1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1cc(CNCC2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H33FN4O4/c1-31-22-14-19(2-4-21(22)33-13-10-28-8-11-32-12-9-28)15-26-17-24(30)6-7-29(18-24)23-5-3-20(25)16-27-23/h2-5,14,16,26,30H,6-13,15,17-18H2,1H3
InChIKeyCOBZIBFLIYWXED-UHFFFAOYSA-N
MW460.55 g/mol
LogP1.67
Rot. Bonds10

About 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol

1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 132779731) has the molecular formula C24H33FN4O4 and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID132779731
Molecular FormulaC24H33FN4O4
Molecular Weight460.55 g/mol
Exact Mass460.25
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1cc(CNCC2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H33FN4O4/c1-31-22-14-19(2-4-21(22)33-13-10-28-8-11-32-12-9-28)15-26-17-24(30)6-7-29(18-24)23-5-3-20(25)16-27-23/h2-5,14,16,26,30H,6-13,15,17-18H2,1H3
InChIKeyCOBZIBFLIYWXED-UHFFFAOYSA-N
XLogP1.67
TPSA79.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol (CID 132779731) is 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol is COc1cc(CNCC2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCN1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is COBZIBFLIYWXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O4/c1-31-22-14-19(2-4-21(22)33-13-10-28-8-11-32-12-9-28)15-26-17-24(30)6-7-29(18-24)23-5-3-20(25)16-27-23/h2-5,14,16,26,30H,6-13,15,17-18H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol?
1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 460.55 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132779731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).