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

C24H27FN6O3 — CID 138704210

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C24H27FN6O3/c1-24(2,34)22(25)13-28-23(33)18-12-27-20(9-19(18)30-15-3-5-17(32)8-15)21-6-4-16-7-14(10-26)11-29-31(16)21/h4,6-7,9,11-12,15,17,22,32,34H,3,5,8,13H2,1-2H3,(H,27,30)(H,28,33)/t15-,17+,22+/m0/s1
InChIKeySHYSNCKDZWZDOI-LBUQITIBSA-N
MW466.52 g/mol
LogP2.43
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide (PubChem CID 138704210) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]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-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide
PubChem CID138704210
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C24H27FN6O3/c1-24(2,34)22(25)13-28-23(33)18-12-27-20(9-19(18)30-15-3-5-17(32)8-15)21-6-4-16-7-14(10-26)11-29-31(16)21/h4,6-7,9,11-12,15,17,22,32,34H,3,5,8,13H2,1-2H3,(H,27,30)(H,28,33)/t15-,17+,22+/m0/s1
InChIKeySHYSNCKDZWZDOI-LBUQITIBSA-N
XLogP2.43
TPSA135.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]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-[[(1S,3R)-3-hydroxycyclopentyl]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-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide (CID 138704210) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]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-[[(1S,3R)-3-hydroxycyclopentyl]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-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H]1CC[C@@H](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-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide?
The InChIKey is SHYSNCKDZWZDOI-LBUQITIBSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-24(2,34)22(25)13-28-23(33)18-12-27-20(9-19(18)30-15-3-5-17(32)8-15)21-6-4-16-7-14(10-26)11-29-31(16)21/h4,6-7,9,11-12,15,17,22,32,34H,3,5,8,13H2,1-2H3,(H,27,30)(H,28,33)/t15-,17+,22+/m0/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-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 8 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-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).