4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one

C26H25FN6O2 — CID 167641047

IUPAC4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(Cc2ncc(F)c(-c3ccn4ncc(C5CCCC5)c4c3)n2)nc1
InChIInChI=1S/C26H25FN6O2/c27-22-15-29-24(12-19-5-6-20(13-28-19)32-9-10-35-16-25(32)34)31-26(22)18-7-8-33-23(11-18)21(14-30-33)17-3-1-2-4-17/h5-8,11,13-15,17H,1-4,9-10,12,16H2
InChIKeyPDXJEYBWQYULBH-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.94
Rot. Bonds5

About 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one

4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one (PubChem CID 167641047) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
PubChem CID167641047
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(Cc2ncc(F)c(-c3ccn4ncc(C5CCCC5)c4c3)n2)nc1
InChIInChI=1S/C26H25FN6O2/c27-22-15-29-24(12-19-5-6-20(13-28-19)32-9-10-35-16-25(32)34)31-26(22)18-7-8-33-23(11-18)21(14-30-33)17-3-1-2-4-17/h5-8,11,13-15,17H,1-4,9-10,12,16H2
InChIKeyPDXJEYBWQYULBH-UHFFFAOYSA-N
XLogP3.94
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
The IUPAC name of 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one (CID 167641047) is 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one is O=C1COCCN1c1ccc(Cc2ncc(F)c(-c3ccn4ncc(C5CCCC5)c4c3)n2)nc1.
What is the InChIKey of 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
The InChIKey is PDXJEYBWQYULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c27-22-15-29-24(12-19-5-6-20(13-28-19)32-9-10-35-16-25(32)34)31-26(22)18-7-8-33-23(11-18)21(14-30-33)17-3-1-2-4-17/h5-8,11,13-15,17H,1-4,9-10,12,16H2.
What are the key properties of 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one?
4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one has a molecular weight of 472.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(3-cyclopentylpyrazolo[1,5-a]pyridin-5-yl)-5-fluoropyrimidin-2-yl]methyl]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 167641047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).