(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

C22H25N9 — CID 156845361

IUPAC(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
SMILESCN(c1ccc(-c2ccc(-c3cnn(C)n3)c3cn[nH]c23)nn1)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C22H25N9/c1-30(15-9-13-3-4-14(10-15)25-13)21-8-7-19(26-27-21)17-6-5-16(18-11-23-28-22(17)18)20-12-24-31(2)29-20/h5-8,11-15,25H,3-4,9-10H2,1-2H3,(H,23,28)/t13-,14+,15?
InChIKeyKNWXOUGLJCIMTR-YIONKMFJSA-N
MW415.51 g/mol
LogP2.53
Rot. Bonds4

About (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

(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 (PubChem CID 156845361) has the molecular formula C22H25N9 and a molecular weight of 415.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID156845361
Molecular FormulaC22H25N9
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name(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
SMILESCN(c1ccc(-c2ccc(-c3cnn(C)n3)c3cn[nH]c23)nn1)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C22H25N9/c1-30(15-9-13-3-4-14(10-15)25-13)21-8-7-19(26-27-21)17-6-5-16(18-11-23-28-22(17)18)20-12-24-31(2)29-20/h5-8,11-15,25H,3-4,9-10H2,1-2H3,(H,23,28)/t13-,14+,15?
InChIKeyKNWXOUGLJCIMTR-YIONKMFJSA-N
XLogP2.53
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

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
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2H-triazol-4-yl)phenol
CID 154983358
(1R,5S)-N-methyl-N-[6-[7-(1,2,4-triazol-1-yl)-1H-indazol-4-yl]-1,2,4-triazin-3-yl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 167502730
2-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol
CID 154598973
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2-methylpyrimidin-5-yl)phenol
CID 154983334
N-methyl-N-[6-(4-pyrazol-1-yl-2,3-dihydro-1H-indazol-7-yl)pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 167502541
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 137464840
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 154983316
5-[4-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 154983385
(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-[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
6-[6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]quinolin-7-ol
CID 154598962

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(c1ccc(-c2ccc(-c3cnn(C)n3)c3cn[nH]c23)nn1)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (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?
The InChIKey is KNWXOUGLJCIMTR-YIONKMFJSA-N. The full InChI is InChI=1S/C22H25N9/c1-30(15-9-13-3-4-14(10-15)25-13)21-8-7-19(26-27-21)17-6-5-16(18-11-23-28-22(17)18)20-12-24-31(2)29-20/h5-8,11-15,25H,3-4,9-10H2,1-2H3,(H,23,28)/t13-,14+,15?.
What are the key properties of (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?
(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 has a molecular weight of 415.51 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 156845361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).