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

C28H26FN9O2 — CID 118206906

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(Nc3cc(-n4ncc5cc(C#N)cnc54)ncc3C(=O)NC[C@@H](F)C(C)(C)O)cc2)cn1
InChIInChI=1S/C28H26FN9O2/c1-28(2,40)24(29)15-33-27(39)22-14-31-25(38-26-19(12-35-38)8-17(10-30)11-32-26)9-23(22)36-21-6-4-18(5-7-21)20-13-34-37(3)16-20/h4-9,11-14,16,24,40H,15H2,1-3H3,(H,31,36)(H,33,39)/t24-/m1/s1
InChIKeyHEEKQINZDCAHFU-XMMPIXPASA-N
MW539.58 g/mol
LogP3.67
Rot. Bonds8

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 118206906) has the molecular formula C28H26FN9O2 and a molecular weight of 539.58 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
PubChem CID118206906
Molecular FormulaC28H26FN9O2
Molecular Weight539.58 g/mol
Exact Mass539.22
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(Nc3cc(-n4ncc5cc(C#N)cnc54)ncc3C(=O)NC[C@@H](F)C(C)(C)O)cc2)cn1
InChIInChI=1S/C28H26FN9O2/c1-28(2,40)24(29)15-33-27(39)22-14-31-25(38-26-19(12-35-38)8-17(10-30)11-32-26)9-23(22)36-21-6-4-18(5-7-21)20-13-34-37(3)16-20/h4-9,11-14,16,24,40H,15H2,1-3H3,(H,31,36)(H,33,39)/t24-/m1/s1
InChIKeyHEEKQINZDCAHFU-XMMPIXPASA-N
XLogP3.67
TPSA146.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.58
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide with MolForge

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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-[4-(1-methylpyrazol-4-yl)anilino]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-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide (CID 118206906) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]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-[4-(1-methylpyrazol-4-yl)anilino]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-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide is Cn1cc(-c2ccc(Nc3cc(-n4ncc5cc(C#N)cnc54)ncc3C(=O)NC[C@@H](F)C(C)(C)O)cc2)cn1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide?
The InChIKey is HEEKQINZDCAHFU-XMMPIXPASA-N. The full InChI is InChI=1S/C28H26FN9O2/c1-28(2,40)24(29)15-33-27(39)22-14-31-25(38-26-19(12-35-38)8-17(10-30)11-32-26)9-23(22)36-21-6-4-18(5-7-21)20-13-34-37(3)16-20/h4-9,11-14,16,24,40H,15H2,1-3H3,(H,31,36)(H,33,39)/t24-/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-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 539.58 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 10 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-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 118206906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).