N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

C21H21N5O — CID 156844555

IUPACN-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C21H21N5O/c1-25(20-17-10-22-11-18(17)20)19-6-5-16-15-4-3-14(26-8-2-7-23-26)9-13(15)12-27-21(16)24-19/h2-9,17-18,20,22H,10-12H2,1H3/t17-,18+,20?
InChIKeyPDPUUHGWOLEDCT-UFRUDQCGSA-N
MW359.43 g/mol
LogP2.48
Rot. Bonds3

About N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844555) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844555
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C21H21N5O/c1-25(20-17-10-22-11-18(17)20)19-6-5-16-15-4-3-14(26-8-2-7-23-26)9-13(15)12-27-21(16)24-19/h2-9,17-18,20,22H,10-12H2,1H3/t17-,18+,20?
InChIKeyPDPUUHGWOLEDCT-UFRUDQCGSA-N
XLogP2.48
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844555) is N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is CN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is PDPUUHGWOLEDCT-UFRUDQCGSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25(20-17-10-22-11-18(17)20)19-6-5-16-15-4-3-14(26-8-2-7-23-26)9-13(15)12-27-21(16)24-19/h2-9,17-18,20,22H,10-12H2,1H3/t17-,18+,20?.
What are the key properties of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 359.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).