N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C22H23FN8 — CID 167502407

IUPACN-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)c3cn[nH]c23)nn1)C1CC2CCC(C1)N2
InChIInChI=1S/C22H23FN8/c1-31(15-6-13-2-3-14(7-15)27-13)20-5-4-19(28-29-20)16-8-18(23)21(12-9-24-25-10-12)17-11-26-30-22(16)17/h4-5,8-11,13-15,27H,2-3,6-7H2,1H3,(H,24,25)(H,26,30)
InChIKeySITDWKXSNYQREM-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.27
Rot. Bonds4

About N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 167502407) has the molecular formula C22H23FN8 and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID167502407
Molecular FormulaC22H23FN8
Molecular Weight418.48 g/mol
Exact Mass418.20
IUPAC NameN-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)c3cn[nH]c23)nn1)C1CC2CCC(C1)N2
InChIInChI=1S/C22H23FN8/c1-31(15-6-13-2-3-14(7-15)27-13)20-5-4-19(28-29-20)16-8-18(23)21(12-9-24-25-10-12)17-11-26-30-22(16)17/h4-5,8-11,13-15,27H,2-3,6-7H2,1H3,(H,24,25)(H,26,30)
InChIKeySITDWKXSNYQREM-UHFFFAOYSA-N
XLogP3.27
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(1R,5S)-N-[6-[2-[7-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-4-(1H-pyrazol-4-yl)-1H-indazol-6-yl]-5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-2-ium-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 167502482
N-[6-[4-fluoro-6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 166173621
(1R,5S)-N-[6-[4-fluoro-6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 170373658
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
(1S,5R)-N-[6-[6-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 170322799
(1R,5S)-N-methyl-N-[6-[5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 170373585
(1S,5R)-N-methyl-N-[6-[4-(2-methyltriazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 156845361
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2H-triazol-4-yl)phenol
CID 154983358
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine
CID 167502948
2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2-methylpyrimidin-5-yl)phenol
CID 154983334
2-[6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598788

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 167502407) is N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(c1ccc(-c2cc(F)c(-c3cn[nH]c3)c3cn[nH]c23)nn1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SITDWKXSNYQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8/c1-31(15-6-13-2-3-14(7-15)27-13)20-5-4-19(28-29-20)16-8-18(23)21(12-9-24-25-10-12)17-11-26-30-22(16)17/h4-5,8-11,13-15,27H,2-3,6-7H2,1H3,(H,24,25)(H,26,30).
What are the key properties of N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 418.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 167502407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).