8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

C24H29N5O — CID 156844756

IUPAC8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CC(C)(C)N1
InChIInChI=1S/C24H29N5O/c1-23(2)13-17(14-24(3,4)28-23)26-21-9-8-20-19-7-6-18(29-11-5-10-25-29)12-16(19)15-30-22(20)27-21/h5-12,17,28H,13-15H2,1-4H3,(H,26,27)
InChIKeyKZZQWWFCMJYEOE-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.55
Rot. Bonds3

About 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844756) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844756
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CC(C)(C)N1
InChIInChI=1S/C24H29N5O/c1-23(2)13-17(14-24(3,4)28-23)26-21-9-8-20-19-7-6-18(29-11-5-10-25-29)12-16(19)15-30-22(20)27-21/h5-12,17,28H,13-15H2,1-4H3,(H,26,27)
InChIKeyKZZQWWFCMJYEOE-UHFFFAOYSA-N
XLogP4.55
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 156844831
N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 156844574
3-piperidin-4-yloxy-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridine
CID 156844692
(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-(9-azabicyclo[3.3.1]nonan-3-yl)-N-ethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
CID 167503035
trans-(1S,3S)-3-[(8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-yl)oxy]cycloheptan-1-amine
CID 167503034
5-chloro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;5-pyrazol-1-yl-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 137197195
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
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol;hydrochloride
CID 139536714
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine;hydrochloride
CID 68708937
6-chloro-2-cyclopropyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82463101
5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626075

Frequently Asked Questions

What is the IUPAC name of 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844756) is 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is CC1(C)CC(Nc2ccc3c(n2)OCc2cc(-n4cccn4)ccc2-3)CC(C)(C)N1.
What is the InChIKey of 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is KZZQWWFCMJYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-23(2)13-17(14-24(3,4)28-23)26-21-9-8-20-19-7-6-18(29-11-5-10-25-29)12-16(19)15-30-22(20)27-21/h5-12,17,28H,13-15H2,1-4H3,(H,26,27).
What are the key properties of 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 403.53 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazol-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).