2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol

C22H26FN5OS — CID 167503480

IUPAC2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol
SMILESCc1ncc(-c2cc(O)c(-c3ccc(N4CC[C@@H](NC(C)(C)C)C4)nn3)cc2F)s1
InChIInChI=1S/C22H26FN5OS/c1-13-24-11-20(30-13)15-10-19(29)16(9-17(15)23)18-5-6-21(27-26-18)28-8-7-14(12-28)25-22(2,3)4/h5-6,9-11,14,25,29H,7-8,12H2,1-4H3/t14-/m1/s1
InChIKeyWNYCLFSMBCHCOA-CQSZACIVSA-N
MW427.55 g/mol
LogP4.39
Rot. Bonds4

About 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol

2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol (PubChem CID 167503480) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol.

Molecular Properties

Compound Name2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol
PubChem CID167503480
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC Name2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol
SMILESCc1ncc(-c2cc(O)c(-c3ccc(N4CC[C@@H](NC(C)(C)C)C4)nn3)cc2F)s1
InChIInChI=1S/C22H26FN5OS/c1-13-24-11-20(30-13)15-10-19(29)16(9-17(15)23)18-5-6-21(27-26-18)28-8-7-14(12-28)25-22(2,3)4/h5-6,9-11,14,25,29H,7-8,12H2,1-4H3/t14-/m1/s1
InChIKeyWNYCLFSMBCHCOA-CQSZACIVSA-N
XLogP4.39
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 151278145
2-[3-(2,2,6,6-Tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,3-thiazol-2-yl)phenol
CID 156699201
2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
CID 153383383
[(Z)-2-[2-[[(3R,4S)-3-fluoropiperidin-4-yl]-methylamino]-4-methyl-1,3-thiazol-5-yl]-1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]ethenyl]-methylidyneazanium
CID 153383506
5-(4-Fluoro-2-methyl-1,3-thiazol-5-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156310430
5-[4-(difluoromethyl)-1,3-thiazol-2-yl]-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887540
5-(5-fluoro-1,3-thiazol-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887748
2,3,6-Trifluoro-4-[4-[4-methyl-2-[(pyridazin-3-ylamino)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]phenol
CID 162757489
5-[4-[6-[[(1S,2R,3S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-3-hydroxyphenyl]-1,3-thiazole-2-carbonitrile
CID 166579879
5-[4-[6-[[(1R,2S,3R,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-3-hydroxyphenyl]-1,3-thiazole-2-carbonitrile
CID 166579926
2-[4-[6-[[(1R,2S,3S,5R)-2-fluoro-1-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-3-hydroxyphenyl]-1,3-thiazole-5-carbonitrile
CID 166579992
5-[4-[6-[[(1R,3R,4S,5R)-4-fluoro-1-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-3-hydroxyphenyl]-1,3-thiazole-2-carbonitrile
CID 166580012

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol?
The IUPAC name of 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol (CID 167503480) is 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol.
What is the SMILES notation for 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol?
The canonical SMILES for 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol is Cc1ncc(-c2cc(O)c(-c3ccc(N4CC[C@@H](NC(C)(C)C)C4)nn3)cc2F)s1.
What is the InChIKey of 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol?
The InChIKey is WNYCLFSMBCHCOA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-13-24-11-20(30-13)15-10-19(29)16(9-17(15)23)18-5-6-21(27-26-18)28-8-7-14(12-28)25-22(2,3)4/h5-6,9-11,14,25,29H,7-8,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol?
2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol has a molecular weight of 427.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol is sourced from PubChem (CID 167503480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).