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

C23H25N5O — CID 156844623

IUPACN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)COc1cc(-n3cccn3)ccc1-2)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C23H25N5O/c1-27(18-11-15-3-4-16(12-18)25-15)23-8-7-19-20-6-5-17(28-10-2-9-24-28)13-22(20)29-14-21(19)26-23/h2,5-10,13,15-16,18,25H,3-4,11-12,14H2,1H3/t15-,16+,18?
InChIKeyLGXBXEPUKLAGQK-BYICEURKSA-N
MW387.49 g/mol
LogP3.55
Rot. Bonds3

About 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

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 (PubChem CID 156844623) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-amine
PubChem CID156844623
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)COc1cc(-n3cccn3)ccc1-2)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C23H25N5O/c1-27(18-11-15-3-4-16(12-18)25-15)23-8-7-19-20-6-5-17(28-10-2-9-24-28)13-22(20)29-14-21(19)26-23/h2,5-10,13,15-16,18,25H,3-4,11-12,14H2,1H3/t15-,16+,18?
InChIKeyLGXBXEPUKLAGQK-BYICEURKSA-N
XLogP3.55
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-methyl-9-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydro-[1]benzoxepino[4,5-b]pyridin-3-amine
CID 156844644
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
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 154983316
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-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridazin-3-yl]-5-(2-methylimidazol-1-yl)phenol
CID 154598973
N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 156844574
2-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(2H-triazol-4-yl)phenol
CID 154983358
(3R)-4-[(1R,3R,5R)-3-[ethyl-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)amino]-8-azabicyclo[3.2.1]octan-6-yl]-3-N-methyl-1-N-(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)cycloheptane-1,3-diamine
CID 167503181
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
(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
N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 156844831

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc2c(n1)COc1cc(-n3cccn3)ccc1-2)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 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?
The InChIKey is LGXBXEPUKLAGQK-BYICEURKSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(18-11-15-3-4-16(12-18)25-15)23-8-7-19-20-6-5-17(28-10-2-9-24-28)13-22(20)29-14-21(19)26-23/h2,5-10,13,15-16,18,25H,3-4,11-12,14H2,1H3/t15-,16+,18?.
What are the key properties of 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?
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 has a molecular weight of 387.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156844623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).