3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

C30H38N6O4 — CID 126741346

IUPAC3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1
InChIInChI=1S/C30H38N6O4/c37-30(38)25-19-26(35-10-5-22(6-11-35)34-12-16-40-17-13-34)27-28(21-2-1-3-21)33-36(29(27)32-25)23-4-9-31-24(18-23)20-7-14-39-15-8-20/h4,9,18-22H,1-3,5-8,10-17H2,(H,37,38)
InChIKeyGXUTVAYCUVAWHB-UHFFFAOYSA-N
MW546.67 g/mol
LogP3.98
Rot. Bonds6

About 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741346) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126741346
Molecular FormulaC30H38N6O4
Molecular Weight546.67 g/mol
Exact Mass546.30
IUPAC Name3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1
InChIInChI=1S/C30H38N6O4/c37-30(38)25-19-26(35-10-5-22(6-11-35)34-12-16-40-17-13-34)27-28(21-2-1-3-21)33-36(29(27)32-25)23-4-9-31-24(18-23)20-7-14-39-15-8-20/h4,9,18-22H,1-3,5-8,10-17H2,(H,37,38)
InChIKeyGXUTVAYCUVAWHB-UHFFFAOYSA-N
XLogP3.98
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741346) is 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1.
What is the InChIKey of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is GXUTVAYCUVAWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4/c37-30(38)25-19-26(35-10-5-22(6-11-35)34-12-16-40-17-13-34)27-28(21-2-1-3-21)33-36(29(27)32-25)23-4-9-31-24(18-23)20-7-14-39-15-8-20/h4,9,18-22H,1-3,5-8,10-17H2,(H,37,38).
What are the key properties of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 546.67 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).