N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C21H23F2N7O — CID 170519242

IUPACN-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)c(OC(F)F)n2)nn1)C1CC2CCC(C1)N2
InChIInChI=1S/C21H23F2N7O/c1-30(15-8-13-2-3-14(9-15)26-13)19-7-6-18(28-29-19)17-5-4-16(12-10-24-25-11-12)20(27-17)31-21(22)23/h4-7,10-11,13-15,21,26H,2-3,8-9H2,1H3,(H,24,25)
InChIKeyNBZCMCGNYUCZRU-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.25
Rot. Bonds6

About N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 170519242) has the molecular formula C21H23F2N7O and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID170519242
Molecular FormulaC21H23F2N7O
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC NameN-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)c(OC(F)F)n2)nn1)C1CC2CCC(C1)N2
InChIInChI=1S/C21H23F2N7O/c1-30(15-8-13-2-3-14(9-15)26-13)19-7-6-18(28-29-19)17-5-4-16(12-10-24-25-11-12)20(27-17)31-21(22)23/h4-7,10-11,13-15,21,26H,2-3,8-9H2,1H3,(H,24,25)
InChIKeyNBZCMCGNYUCZRU-UHFFFAOYSA-N
XLogP3.25
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US11208400, Example 494
CID 142754158
US11208400, Example 499
CID 142754036
US20230339900, Example 41
CID 162760819
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 2812604
US20230339900, Example 34
CID 162760886
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 2812603
1-methyl-4-[4-pyridin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]piperazine
CID 15485909
3-[6-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 44624451
6-[3-(6-Methoxy-pyridin-3-yl)-5-trifluoromethyl-pyrazol-1-yl]-pyridazin-3-ylamine
CID 57861929
2-[5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-yl]oxyethanol
CID 57999573
5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
CID 66865051
5-fluoro-2-methoxy-3-[1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
CID 66865744

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 170519242) is N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(c1ccc(-c2ccc(-c3cn[nH]c3)c(OC(F)F)n2)nn1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NBZCMCGNYUCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7O/c1-30(15-8-13-2-3-14(9-15)26-13)19-7-6-18(28-29-19)17-5-4-16(12-10-24-25-11-12)20(27-17)31-21(22)23/h4-7,10-11,13-15,21,26H,2-3,8-9H2,1H3,(H,24,25).
What are the key properties of N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 427.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(difluoromethoxy)-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 170519242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).