N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide

C23H29N5O3S — CID 59001612

IUPACN-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide
SMILESCOC[C@H]1CCCN1C(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccccc3C)sc12
InChIInChI=1S/C23H29N5O3S/c1-14-9-6-7-11-16(14)20(29)25-22-24-19-18(32-22)17(26-28(19)23(2,3)4)21(30)27-12-8-10-15(27)13-31-5/h6-7,9,11,15H,8,10,12-13H2,1-5H3,(H,24,25,29)/t15-/m1/s1
InChIKeyIZMCJLHXTMECGO-OAHLLOKOSA-N
MW455.58 g/mol
LogP4.06
Rot. Bonds5

About N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide

N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide (PubChem CID 59001612) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide
PubChem CID59001612
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC NameN-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide
SMILESCOC[C@H]1CCCN1C(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccccc3C)sc12
InChIInChI=1S/C23H29N5O3S/c1-14-9-6-7-11-16(14)20(29)25-22-24-19-18(32-22)17(26-28(19)23(2,3)4)21(30)27-12-8-10-15(27)13-31-5/h6-7,9,11,15H,8,10,12-13H2,1-5H3,(H,24,25,29)/t15-/m1/s1
InChIKeyIZMCJLHXTMECGO-OAHLLOKOSA-N
XLogP4.06
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-tert-butyl-3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-ethylbenzamide
CID 59001200
N-[3-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]-1-tert-butylpyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001383
N-[1-tert-butyl-3-[(2S)-2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001575
4-amino-N-[1-tert-butyl-3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
CID 59001598
N-[1-tert-butyl-3-[(2S)-2-[(3-hydroxypyrrolidin-1-yl)methyl]pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methylbenzamide
CID 59001440
4-(hydroxymethyl)-N-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
CID 89321070
N-[1-tert-butyl-3-(3-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001442
N-[1-tert-butyl-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
CID 59001226
N-[1-tert-butyl-3-(4-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001494
(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72842591
N-[1-tert-butyl-3-[(3R,4R)-3-(3,5-dimethylpyrazol-1-yl)-4-hydroxypyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]benzamide
CID 11720358
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide (CID 59001612) is N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide is COC[C@H]1CCCN1C(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3ccccc3C)sc12.
What is the InChIKey of N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide?
The InChIKey is IZMCJLHXTMECGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-14-9-6-7-11-16(14)20(29)25-22-24-19-18(32-22)17(26-28(19)23(2,3)4)21(30)27-12-8-10-15(27)13-31-5/h6-7,9,11,15H,8,10,12-13H2,1-5H3,(H,24,25,29)/t15-/m1/s1.
What are the key properties of N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide?
N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide has a molecular weight of 455.58 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 59001612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).