N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine

C23H25N5O — CID 167502948

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)COc1cc(-c3cn[nH]c3)ccc1-2)C1CC2CCC(C1)N2
InChIInChI=1S/C23H25N5O/c1-28(18-9-16-3-4-17(10-18)26-16)23-7-6-19-20-5-2-14(15-11-24-25-12-15)8-22(20)29-13-21(19)27-23/h2,5-8,11-12,16-18,26H,3-4,9-10,13H2,1H3,(H,24,25)
InChIKeyGKTJZOGZUIKPSM-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.75
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine (PubChem CID 167502948) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine
PubChem CID167502948
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)COc1cc(-c3cn[nH]c3)ccc1-2)C1CC2CCC(C1)N2
InChIInChI=1S/C23H25N5O/c1-28(18-9-16-3-4-17(10-18)26-16)23-7-6-19-20-5-2-14(15-11-24-25-12-15)8-22(20)29-13-21(19)27-23/h2,5-8,11-12,16-18,26H,3-4,9-10,13H2,1H3,(H,24,25)
InChIKeyGKTJZOGZUIKPSM-UHFFFAOYSA-N
XLogP3.75
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-amine
CID 156844623
(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
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
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
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-(2H-triazol-4-yl)phenol
CID 154983358
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
2-[6-[[(1R,3R,5R,6R)-6-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 166580224

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine?
The IUPAC name of 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) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine is CN(c1ccc2c(n1)COc1cc(-c3cn[nH]c3)ccc1-2)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine?
The InChIKey is GKTJZOGZUIKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-28(18-9-16-3-4-17(10-18)26-16)23-7-6-19-20-5-2-14(15-11-24-25-12-15)8-22(20)29-13-21(19)27-23/h2,5-8,11-12,16-18,26H,3-4,9-10,13H2,1H3,(H,24,25).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine has a molecular weight of 387.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(1H-pyrazol-4-yl)-5H-chromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 167502948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).