N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

C23H25N5O — CID 166173749

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1CC2CCC(C1)N2
InChIInChI=1S/C23H25N5O/c1-27(19-12-16-3-4-17(13-19)25-16)22-8-7-21-20-6-5-18(28-10-2-9-24-28)11-15(20)14-29-23(21)26-22/h2,5-11,16-17,19,25H,3-4,12-14H2,1H3
InChIKeySMQATAWZNCNEIX-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.55
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 166173749) 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-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID166173749
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1CC2CCC(C1)N2
InChIInChI=1S/C23H25N5O/c1-27(19-12-16-3-4-17(13-19)25-16)22-8-7-21-20-6-5-18(28-10-2-9-24-28)11-15(20)14-29-23(21)26-22/h2,5-11,16-17,19,25H,3-4,12-14H2,1H3
InChIKeySMQATAWZNCNEIX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 166173749) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is CN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is SMQATAWZNCNEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(19-12-16-3-4-17(13-19)25-16)22-8-7-21-20-6-5-18(28-10-2-9-24-28)11-15(20)14-29-23(21)26-22/h2,5-11,16-17,19,25H,3-4,12-14H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[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-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 166173749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).