1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H20FN7O2 — CID 59278258

IUPAC1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H20FN7O2/c23-15-1-3-17(4-2-15)30-20-14-24-12-19(18(20)13-27-30)21(31)26-11-16-5-6-25-22(28-16)29-7-9-32-10-8-29/h1-6,12-14H,7-11H2,(H,26,31)
InChIKeyISJOIDHCAVASHU-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278258) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278258
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H20FN7O2/c23-15-1-3-17(4-2-15)30-20-14-24-12-19(18(20)13-27-30)21(31)26-11-16-5-6-25-22(28-16)29-7-9-32-10-8-29/h1-6,12-14H,7-11H2,(H,26,31)
InChIKeyISJOIDHCAVASHU-UHFFFAOYSA-N
XLogP2.12
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278258) is 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is ISJOIDHCAVASHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c23-15-1-3-17(4-2-15)30-20-14-24-12-19(18(20)13-27-30)21(31)26-11-16-5-6-25-22(28-16)29-7-9-32-10-8-29/h1-6,12-14H,7-11H2,(H,26,31).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 433.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).