N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine

C24H29N9S — CID 153383782

IUPACN-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine
SMILESCN(c1nc2[nH]c(-c3ccc(-c4cn[nH]c4)c4cn[nH]c34)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N9S/c1-23(2)8-14(9-24(3,4)32-23)33(5)22-30-20-21(34-22)29-19(28-20)16-7-6-15(13-10-25-26-11-13)17-12-27-31-18(16)17/h6-7,10-12,14,32H,8-9H2,1-5H3,(H,25,26)(H,27,31)(H,28,29)
InChIKeyGIQIQXHMVRFOPY-UHFFFAOYSA-N
MW475.63 g/mol
LogP4.70
Rot. Bonds4

About N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine

N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine (PubChem CID 153383782) has the molecular formula C24H29N9S and a molecular weight of 475.63 g/mol. Its IUPAC name is N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine
PubChem CID153383782
Molecular FormulaC24H29N9S
Molecular Weight475.63 g/mol
Exact Mass475.23
IUPAC NameN-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine
SMILESCN(c1nc2[nH]c(-c3ccc(-c4cn[nH]c4)c4cn[nH]c34)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N9S/c1-23(2)8-14(9-24(3,4)32-23)33(5)22-30-20-21(34-22)29-19(28-20)16-7-6-15(13-10-25-26-11-13)17-12-27-31-18(16)17/h6-7,10-12,14,32H,8-9H2,1-5H3,(H,25,26)(H,27,31)(H,28,29)
InChIKeyGIQIQXHMVRFOPY-UHFFFAOYSA-N
XLogP4.70
TPSA114.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine?
The IUPAC name of N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine (CID 153383782) is N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine?
The canonical SMILES for N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine is CN(c1nc2[nH]c(-c3ccc(-c4cn[nH]c4)c4cn[nH]c34)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine?
The InChIKey is GIQIQXHMVRFOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9S/c1-23(2)8-14(9-24(3,4)32-23)33(5)22-30-20-21(34-22)29-19(28-20)16-7-6-15(13-10-25-26-11-13)17-12-27-31-18(16)17/h6-7,10-12,14,32H,8-9H2,1-5H3,(H,25,26)(H,27,31)(H,28,29).
What are the key properties of N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine?
N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine has a molecular weight of 475.63 g/mol, XLogP of 4.70, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine is sourced from PubChem (CID 153383782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).