6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide

C23H28FN7O3 — CID 118206833

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide
SMILESCC(C)C(O)CNc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C23H28FN7O3/c1-13(2)18(32)11-26-17-6-20(31-21-15(9-30-31)5-14(7-25)8-28-21)27-10-16(17)22(33)29-12-19(24)23(3,4)34/h5-6,8-10,13,18-19,32,34H,11-12H2,1-4H3,(H,26,27)(H,29,33)/t18?,19-/m1/s1
InChIKeyRRXFLYINENEJFU-MUMRKEEXSA-N
MW469.52 g/mol
LogP1.95
Rot. Bonds9

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide (PubChem CID 118206833) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide
PubChem CID118206833
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide
SMILESCC(C)C(O)CNc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C23H28FN7O3/c1-13(2)18(32)11-26-17-6-20(31-21-15(9-30-31)5-14(7-25)8-28-21)27-10-16(17)22(33)29-12-19(24)23(3,4)34/h5-6,8-10,13,18-19,32,34H,11-12H2,1-4H3,(H,26,27)(H,29,33)/t18?,19-/m1/s1
InChIKeyRRXFLYINENEJFU-MUMRKEEXSA-N
XLogP1.95
TPSA148.98 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide (CID 118206833) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide is CC(C)C(O)CNc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide?
The InChIKey is RRXFLYINENEJFU-MUMRKEEXSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-13(2)18(32)11-26-17-6-20(31-21-15(9-30-31)5-14(7-25)8-28-21)27-10-16(17)22(33)29-12-19(24)23(3,4)34/h5-6,8-10,13,18-19,32,34H,11-12H2,1-4H3,(H,26,27)(H,29,33)/t18?,19-/m1/s1.
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.95, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).