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

C23H25FN6O3 — CID 135307842

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC1CO
InChIInChI=1S/C23H25FN6O3/c1-23(2,33)21(24)11-27-22(32)16-10-26-19(7-18(16)29-17-6-14(17)12-31)20-4-3-15-5-13(8-25)9-28-30(15)20/h3-5,7,9-10,14,17,21,31,33H,6,11-12H2,1-2H3,(H,26,29)(H,27,32)/t14?,17?,21-/m1/s1
InChIKeyZUULYTFWFUOYIY-KDDGLUCOSA-N
MW452.49 g/mol
LogP1.90
Rot. Bonds8

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide (PubChem CID 135307842) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]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-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide
PubChem CID135307842
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC1CO
InChIInChI=1S/C23H25FN6O3/c1-23(2,33)21(24)11-27-22(32)16-10-26-19(7-18(16)29-17-6-14(17)12-31)20-4-3-15-5-13(8-25)9-28-30(15)20/h3-5,7,9-10,14,17,21,31,33H,6,11-12H2,1-2H3,(H,26,29)(H,27,32)/t14?,17?,21-/m1/s1
InChIKeyZUULYTFWFUOYIY-KDDGLUCOSA-N
XLogP1.90
TPSA135.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.90
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-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

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4-[[(3S,4S)-1-(2-cyanoacetyl)-4-methylpyrrolidin-3-yl]amino]-6-(2-fluoro-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937374
4-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-6-(6-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
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US10618903, Example 193
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6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((5-oxopyrrolidin-3-yl)amino)nicotinamide
CID 135307776
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((4-(2-oxooxazolidin-3-yl)bicyclo[2.2.2]octan-1-yl)amino)nicotinamide
CID 135307779
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((4-hydroxybicyclo[2.2.2]octan-1-yl)amino)nicotinamide
CID 135307795
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((1-((R)-1-(oxetan-3-yl)pyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)nicotinamide
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(R)-4-((2-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-5-((2-fluoro-3-hydroxy-3-methylbutyl) carbamoyl)pyridin-4-yl)amino)bicyclo[2.2.2] octan-1-yl acetate
CID 135307856

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-[[2-(hydroxymethyl)cyclopropyl]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-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide (CID 135307842) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]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-[[2-(hydroxymethyl)cyclopropyl]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-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC1CO.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide?
The InChIKey is ZUULYTFWFUOYIY-KDDGLUCOSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-23(2,33)21(24)11-27-22(32)16-10-26-19(7-18(16)29-17-6-14(17)12-31)20-4-3-15-5-13(8-25)9-28-30(15)20/h3-5,7,9-10,14,17,21,31,33H,6,11-12H2,1-2H3,(H,26,29)(H,27,32)/t14?,17?,21-/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-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 1.90, 8 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-[[2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135307842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).