5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol

C24H25N5OS — CID 151695808

IUPAC5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol
SMILESCC1(C)C=C(c2cc3sc(-c4ccc(-c5cn[nH]c5)cc4O)nc3cn2)CC(C)(C)N1
InChIInChI=1S/C24H25N5OS/c1-23(2)9-15(10-24(3,4)29-23)18-8-21-19(13-25-18)28-22(31-21)17-6-5-14(7-20(17)30)16-11-26-27-12-16/h5-9,11-13,29-30H,10H2,1-4H3,(H,26,27)
InChIKeyRDNKWONEJBCEFB-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.39
Rot. Bonds3

About 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol

5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol (PubChem CID 151695808) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol
PubChem CID151695808
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol
SMILESCC1(C)C=C(c2cc3sc(-c4ccc(-c5cn[nH]c5)cc4O)nc3cn2)CC(C)(C)N1
InChIInChI=1S/C24H25N5OS/c1-23(2)9-15(10-24(3,4)29-23)18-8-21-19(13-25-18)28-22(31-21)17-6-5-14(7-20(17)30)16-11-26-27-12-16/h5-9,11-13,29-30H,10H2,1-4H3,(H,26,27)
InChIKeyRDNKWONEJBCEFB-UHFFFAOYSA-N
XLogP5.39
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol?
The IUPAC name of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol (CID 151695808) is 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol is CC1(C)C=C(c2cc3sc(-c4ccc(-c5cn[nH]c5)cc4O)nc3cn2)CC(C)(C)N1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol?
The InChIKey is RDNKWONEJBCEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-23(2)9-15(10-24(3,4)29-23)18-8-21-19(13-25-18)28-22(31-21)17-6-5-14(7-20(17)30)16-11-26-27-12-16/h5-9,11-13,29-30H,10H2,1-4H3,(H,26,27).
What are the key properties of 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol?
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 431.57 g/mol, XLogP of 5.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 151695808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).