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

C18H16N4O — CID 156844831

IUPACN-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(NC4CC4)ccc2-3)c1
InChIInChI=1S/C18H16N4O/c1-8-19-22(9-1)14-4-5-15-12(10-14)11-23-18-16(15)6-7-17(21-18)20-13-2-3-13/h1,4-10,13H,2-3,11H2,(H,20,21)
InChIKeyKYPUHTPCMAAVFA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.40
Rot. Bonds3

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

N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844831) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844831
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESc1cnn(-c2ccc3c(c2)COc2nc(NC4CC4)ccc2-3)c1
InChIInChI=1S/C18H16N4O/c1-8-19-22(9-1)14-4-5-15-12(10-14)11-23-18-16(15)6-7-17(21-18)20-13-2-3-13/h1,4-10,13H,2-3,11H2,(H,20,21)
InChIKeyKYPUHTPCMAAVFA-UHFFFAOYSA-N
XLogP3.40
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844831) is N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is c1cnn(-c2ccc3c(c2)COc2nc(NC4CC4)ccc2-3)c1.
What is the InChIKey of N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is KYPUHTPCMAAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-8-19-22(9-1)14-4-5-15-12(10-14)11-23-18-16(15)6-7-17(21-18)20-13-2-3-13/h1,4-10,13H,2-3,11H2,(H,20,21).
What are the key properties of N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 304.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).