2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol

C20H20N6O — CID 137029472

IUPAC2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CC2CC1CN2c1ccccn1
InChIInChI=1S/C20H20N6O/c21-20-17(10-16(23-24-20)15-5-1-2-6-18(15)27)25-11-14-9-13(25)12-26(14)19-7-3-4-8-22-19/h1-8,10,13-14,27H,9,11-12H2,(H2,21,24)
InChIKeyMTXWDADYKYPVEZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.29
Rot. Bonds3

About 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol (PubChem CID 137029472) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol
PubChem CID137029472
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CC2CC1CN2c1ccccn1
InChIInChI=1S/C20H20N6O/c21-20-17(10-16(23-24-20)15-5-1-2-6-18(15)27)25-11-14-9-13(25)12-26(14)19-7-3-4-8-22-19/h1-8,10,13-14,27H,9,11-12H2,(H2,21,24)
InChIKeyMTXWDADYKYPVEZ-UHFFFAOYSA-N
XLogP2.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
2-[5-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154677055
2-[5-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162649981
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 44225587
3-(7-Amino-2-methyl-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 46891226
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
5-(1-Methylpyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536927
3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenol
CID 71526619

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol (CID 137029472) is 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CC2CC1CN2c1ccccn1.
What is the InChIKey of 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol?
The InChIKey is MTXWDADYKYPVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c21-20-17(10-16(23-24-20)15-5-1-2-6-18(15)27)25-11-14-9-13(25)12-26(14)19-7-3-4-8-22-19/h1-8,10,13-14,27H,9,11-12H2,(H2,21,24).
What are the key properties of 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol has a molecular weight of 360.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).