N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

C21H23N5O — CID 156844567

IUPACN-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1CCNCC1
InChIInChI=1S/C21H23N5O/c1-25(16-7-10-22-11-8-16)20-6-5-19-18-4-3-17(26-12-2-9-23-26)13-15(18)14-27-21(19)24-20/h2-6,9,12-13,16,22H,7-8,10-11,14H2,1H3
InChIKeyIFFKUPOALWGKTC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.01
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844567) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844567
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1CCNCC1
InChIInChI=1S/C21H23N5O/c1-25(16-7-10-22-11-8-16)20-6-5-19-18-4-3-17(26-12-2-9-23-26)13-15(18)14-27-21(19)24-20/h2-6,9,12-13,16,22H,7-8,10-11,14H2,1H3
InChIKeyIFFKUPOALWGKTC-UHFFFAOYSA-N
XLogP3.01
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844567) is N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is CN(c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is IFFKUPOALWGKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(16-7-10-22-11-8-16)20-6-5-19-18-4-3-17(26-12-2-9-23-26)13-15(18)14-27-21(19)24-20/h2-6,9,12-13,16,22H,7-8,10-11,14H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 361.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).