N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C24H32N8O2S — CID 164547084

IUPACN-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCCn1nccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)c2s1.[H][H].[H][H]
InChIInChI=1S/C24H28N8O2S.2H2/c1-5-31-19(6-7-26-31)20-11-32-23(35-20)17(10-27-32)22(34)29-18-8-16(9-25-15(18)2)28-21(33)12-30-13-24(3,4)14-30;;/h6-11H,5,12-14H2,1-4H3,(H,28,33)(H,29,34);2*1H
InChIKeyQZYFMBTWHLFAHM-UHFFFAOYSA-N
MW496.64 g/mol
LogP4.01
Rot. Bonds7

About N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547084) has the molecular formula C24H32N8O2S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
PubChem CID164547084
Molecular FormulaC24H32N8O2S
Molecular Weight496.64 g/mol
Exact Mass496.24
IUPAC NameN-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCCn1nccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)c2s1.[H][H].[H][H]
InChIInChI=1S/C24H28N8O2S.2H2/c1-5-31-19(6-7-26-31)20-11-32-23(35-20)17(10-27-32)22(34)29-18-8-16(9-25-15(18)2)28-21(33)12-30-13-24(3,4)14-30;;/h6-11H,5,12-14H2,1-4H3,(H,28,33)(H,29,34);2*1H
InChIKeyQZYFMBTWHLFAHM-UHFFFAOYSA-N
XLogP4.01
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethyl-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547834
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547388
N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548250
N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547960
N-[5-[3-(3,3-dimethylazetidin-1-yl)-2-oxopropyl]-2-methyl-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 171408618
N-[5-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-oxo-1H-pyridin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 174222227
N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547560
N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 171408639
2-(1,3-dimethylpyrazol-4-yl)-N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548387
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547855
N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547297
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547372

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The IUPAC name of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547084) is N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is CCn1nccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)c2s1.[H][H].[H][H].
What is the InChIKey of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The InChIKey is QZYFMBTWHLFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S.2H2/c1-5-31-19(6-7-26-31)20-11-32-23(35-20)17(10-27-32)22(34)29-18-8-16(9-25-15(18)2)28-21(33)12-30-13-24(3,4)14-30;;/h6-11H,5,12-14H2,1-4H3,(H,28,33)(H,29,34);2*1H.
What are the key properties of N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 496.64 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-ethylpyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).