5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol

C24H29N7O — CID 153382725

IUPAC5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol
SMILESCc1[nH]ncc1-c1ccc(-c2cnc3c(c2)nnn3C2CC(C)(C)NC(C)(C)C2)c(O)c1
InChIInChI=1S/C24H29N7O/c1-14-19(13-26-27-14)15-6-7-18(21(32)9-15)16-8-20-22(25-12-16)31(30-28-20)17-10-23(2,3)29-24(4,5)11-17/h6-9,12-13,17,29,32H,10-11H2,1-5H3,(H,26,27)
InChIKeyTTWKROZKYRRFEL-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.38
Rot. Bonds3

About 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol

5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol (PubChem CID 153382725) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol
PubChem CID153382725
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol
SMILESCc1[nH]ncc1-c1ccc(-c2cnc3c(c2)nnn3C2CC(C)(C)NC(C)(C)C2)c(O)c1
InChIInChI=1S/C24H29N7O/c1-14-19(13-26-27-14)15-6-7-18(21(32)9-15)16-8-20-22(25-12-16)31(30-28-20)17-10-23(2,3)29-24(4,5)11-17/h6-9,12-13,17,29,32H,10-11H2,1-5H3,(H,26,27)
InChIKeyTTWKROZKYRRFEL-UHFFFAOYSA-N
XLogP4.38
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
The IUPAC name of 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol (CID 153382725) is 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol is Cc1[nH]ncc1-c1ccc(-c2cnc3c(c2)nnn3C2CC(C)(C)NC(C)(C)C2)c(O)c1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
The InChIKey is TTWKROZKYRRFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-14-19(13-26-27-14)15-6-7-18(21(32)9-15)16-8-20-22(25-12-16)31(30-28-20)17-10-23(2,3)29-24(4,5)11-17/h6-9,12-13,17,29,32H,10-11H2,1-5H3,(H,26,27).
What are the key properties of 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol?
5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol has a molecular weight of 431.54 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-b]pyridin-6-yl]phenol is sourced from PubChem (CID 153382725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).