6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide

C27H28FN7O3 — CID 138703753

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)Oc1cncc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)c1
InChIInChI=1S/C27H28FN7O3/c1-16(2)38-20-8-18(12-30-13-20)34-22-9-23(24-6-5-19-7-17(10-29)11-33-35(19)24)31-14-21(22)26(36)32-15-25(28)27(3,4)37/h5-9,11-14,16,25,37H,15H2,1-4H3,(H,31,34)(H,32,36)/t25-/m1/s1
InChIKeyLYRCBSRICXVASB-RUZDIDTESA-N
MW517.57 g/mol
LogP4.03
Rot. Bonds9

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 138703753) has the molecular formula C27H28FN7O3 and a molecular weight of 517.57 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID138703753
Molecular FormulaC27H28FN7O3
Molecular Weight517.57 g/mol
Exact Mass517.22
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)Oc1cncc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)c1
InChIInChI=1S/C27H28FN7O3/c1-16(2)38-20-8-18(12-30-13-20)34-22-9-23(24-6-5-19-7-17(10-29)11-33-35(19)24)31-14-21(22)26(36)32-15-25(28)27(3,4)37/h5-9,11-14,16,25,37H,15H2,1-4H3,(H,31,34)(H,32,36)/t25-/m1/s1
InChIKeyLYRCBSRICXVASB-RUZDIDTESA-N
XLogP4.03
TPSA137.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide (CID 138703753) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide is CC(C)Oc1cncc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)c1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is LYRCBSRICXVASB-RUZDIDTESA-N. The full InChI is InChI=1S/C27H28FN7O3/c1-16(2)38-20-8-18(12-30-13-20)34-22-9-23(24-6-5-19-7-17(10-29)11-33-35(19)24)31-14-21(22)26(36)32-15-25(28)27(3,4)37/h5-9,11-14,16,25,37H,15H2,1-4H3,(H,31,34)(H,32,36)/t25-/m1/s1.
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 517.57 g/mol, XLogP of 4.03, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-propan-2-yloxy-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).