5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide

C22H20F2N6O — CID 126725418

IUPAC5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(-c3ccc(NCC[C@H](F)Cc4ncccc4F)nn3)ccc2[nH]1
InChIInChI=1S/C22H20F2N6O/c23-15(12-19-16(24)2-1-8-26-19)7-9-27-21-6-5-18(29-30-21)13-3-4-17-14(10-13)11-20(28-17)22(25)31/h1-6,8,10-11,15,28H,7,9,12H2,(H2,25,31)(H,27,30)/t15-/m0/s1
InChIKeyVZSFTODMZTTWFS-HNNXBMFYSA-N
MW422.44 g/mol
LogP3.64
Rot. Bonds8

About 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide

5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide (PubChem CID 126725418) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide
PubChem CID126725418
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(-c3ccc(NCC[C@H](F)Cc4ncccc4F)nn3)ccc2[nH]1
InChIInChI=1S/C22H20F2N6O/c23-15(12-19-16(24)2-1-8-26-19)7-9-27-21-6-5-18(29-30-21)13-3-4-17-14(10-13)11-20(28-17)22(25)31/h1-6,8,10-11,15,28H,7,9,12H2,(H2,25,31)(H,27,30)/t15-/m0/s1
InChIKeyVZSFTODMZTTWFS-HNNXBMFYSA-N
XLogP3.64
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]benzoate
CID 126725379
N-[5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indazol-3-yl]methanesulfonamide
CID 126725381
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 82090396
3-[[[6-(3-carbamoylphenyl)pyridazin-3-yl]amino]methyl]-3-(3-fluoro-2-pyridinyl)azetidine-1-carboxylic acid
CID 121281847
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
2-fluoro-4-[8-(quinolin-6-ylmethyl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]benzamide
CID 123641836
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922
6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
CID 139323717
N'-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-indazol-3-yl]ethane-1,2-diamine;5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propyl-1H-indazol-3-amine
CID 159121074
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide (CID 126725418) is 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide is NC(=O)c1cc2cc(-c3ccc(NCC[C@H](F)Cc4ncccc4F)nn3)ccc2[nH]1.
What is the InChIKey of 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is VZSFTODMZTTWFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c23-15(12-19-16(24)2-1-8-26-19)7-9-27-21-6-5-18(29-30-21)13-3-4-17-14(10-13)11-20(28-17)22(25)31/h1-6,8,10-11,15,28H,7,9,12H2,(H2,25,31)(H,27,30)/t15-/m0/s1.
What are the key properties of 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide?
5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126725418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).