N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

C26H30N4O2 — CID 156844602

IUPACN-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCc1ncc(-c2ccc3c(c2)COc2nc(N(C)[C@H]4C[C@@H]5CC[C@H](CC4C)N5)ccc2-3)o1
InChIInChI=1S/C26H30N4O2/c1-15-10-19-5-6-20(28-19)12-23(15)30(3)25-9-8-22-21-7-4-17(24-13-27-16(2)32-24)11-18(21)14-31-26(22)29-25/h4,7-9,11,13,15,19-20,23,28H,5-6,10,12,14H2,1-3H3/t15?,19-,20+,23+/m1/s1
InChIKeyMOKZFHBUAFQBCU-WKKVVXFESA-N
MW430.55 g/mol
LogP4.96
Rot. Bonds3

About N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844602) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844602
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCc1ncc(-c2ccc3c(c2)COc2nc(N(C)[C@H]4C[C@@H]5CC[C@H](CC4C)N5)ccc2-3)o1
InChIInChI=1S/C26H30N4O2/c1-15-10-19-5-6-20(28-19)12-23(15)30(3)25-9-8-22-21-7-4-17(24-13-27-16(2)32-24)11-18(21)14-31-26(22)29-25/h4,7-9,11,13,15,19-20,23,28H,5-6,10,12,14H2,1-3H3/t15?,19-,20+,23+/m1/s1
InChIKeyMOKZFHBUAFQBCU-WKKVVXFESA-N
XLogP4.96
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

3-N-methyl-3-N-[8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-yl]cycloheptane-1,3-diamine
CID 156844677
8-(6-methoxypyridazin-4-yl)-N-methyl-N-[(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-6H-isochromeno[3,4-b]pyridin-3-amine
CID 172537126
3-[[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]oxy]-8-(5-methyl-1,3-thiazol-2-yl)-6H-isochromeno[3,4-b]pyridine
CID 168725174
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
8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 156844620
N-(9-azabicyclo[3.3.1]nonan-3-yl)-N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 167503035
N-(6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-(triazol-2-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
CID 172537121
N-methyl-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-d]pyrimidin-3-amine
CID 167503098
N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 156844574
3-[(8,8-difluoro-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl)oxy]-8-(6-methoxypyridazin-4-yl)-6H-isochromeno[3,4-b]pyridine
CID 167503361
2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline
CID 141279145
N-methyl-N-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231864

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844602) is N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is Cc1ncc(-c2ccc3c(c2)COc2nc(N(C)[C@H]4C[C@@H]5CC[C@H](CC4C)N5)ccc2-3)o1.
What is the InChIKey of N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is MOKZFHBUAFQBCU-WKKVVXFESA-N. The full InChI is InChI=1S/C26H30N4O2/c1-15-10-19-5-6-20(28-19)12-23(15)30(3)25-9-8-22-21-7-4-17(24-13-27-16(2)32-24)11-18(21)14-31-26(22)29-25/h4,7-9,11,13,15,19-20,23,28H,5-6,10,12,14H2,1-3H3/t15?,19-,20+,23+/m1/s1.
What are the key properties of N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 430.55 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,3S,6R)-4-methyl-9-azabicyclo[4.2.1]nonan-3-yl]-8-(2-methyl-1,3-oxazol-5-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).