ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C28H37FN6O4 — CID 134442483

IUPACethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3cc(F)nc(C4COCCN4)c3)c2n1
InChIInChI=1S/C28H37FN6O4/c1-5-39-28(36)21-14-23(34-9-6-18(7-10-34)15-37-4)25-26(17(2)3)33-35(27(25)32-21)19-12-20(31-24(29)13-19)22-16-38-11-8-30-22/h12-14,17-18,22,30H,5-11,15-16H2,1-4H3
InChIKeyGEEOZAVBKGPQDH-UHFFFAOYSA-N
MW540.64 g/mol
LogP3.78
Rot. Bonds8

About ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 134442483) has the molecular formula C28H37FN6O4 and a molecular weight of 540.64 g/mol. Its IUPAC name is ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID134442483
Molecular FormulaC28H37FN6O4
Molecular Weight540.64 g/mol
Exact Mass540.29
IUPAC Nameethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3cc(F)nc(C4COCCN4)c3)c2n1
InChIInChI=1S/C28H37FN6O4/c1-5-39-28(36)21-14-23(34-9-6-18(7-10-34)15-37-4)25-26(17(2)3)33-35(27(25)32-21)19-12-20(31-24(29)13-19)22-16-38-11-8-30-22/h12-14,17-18,22,30H,5-11,15-16H2,1-4H3
InChIKeyGEEOZAVBKGPQDH-UHFFFAOYSA-N
XLogP3.78
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.64
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 134442483) is ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3cc(F)nc(C4COCCN4)c3)c2n1.
What is the InChIKey of ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is GEEOZAVBKGPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN6O4/c1-5-39-28(36)21-14-23(34-9-6-18(7-10-34)15-37-4)25-26(17(2)3)33-35(27(25)32-21)19-12-20(31-24(29)13-19)22-16-38-11-8-30-22/h12-14,17-18,22,30H,5-11,15-16H2,1-4H3.
What are the key properties of ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 540.64 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoro-6-morpholin-3-yl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 134442483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).