N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H35N7O2S — CID 45161179

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(Cc1c(C)nc3sccn13)CC2
InChIInChI=1S/C24H35N7O2S/c1-4-29-8-5-6-18(29)14-25-23(32)22-19-15-28(9-7-20(19)31(27-22)10-12-33-3)16-21-17(2)26-24-30(21)11-13-34-24/h11,13,18H,4-10,12,14-16H2,1-3H3,(H,25,32)
InChIKeyWCKCDWCOEUQUGE-UHFFFAOYSA-N
MW485.66 g/mol
LogP2.32
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45161179) has the molecular formula C24H35N7O2S and a molecular weight of 485.66 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45161179
Molecular FormulaC24H35N7O2S
Molecular Weight485.66 g/mol
Exact Mass485.26
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(Cc1c(C)nc3sccn13)CC2
InChIInChI=1S/C24H35N7O2S/c1-4-29-8-5-6-18(29)14-25-23(32)22-19-15-28(9-7-20(19)31(27-22)10-12-33-3)16-21-17(2)26-24-30(21)11-13-34-24/h11,13,18H,4-10,12,14-16H2,1-3H3,(H,25,32)
InChIKeyWCKCDWCOEUQUGE-UHFFFAOYSA-N
XLogP2.32
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 50984047
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
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1-(2-hydroxyethyl)-5-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231512
N-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26133277
1-(2-hydroxyethyl)-5-(imidazo[5,1-b][1,3]thiazole-5-carbonyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933226
1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-{[6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}methanamine
CID 25278294
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CID 28098288
N-[(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 28732891
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1-(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 45252857
5-[(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 50958074

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45161179) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1nn(CCOC)c2c1CN(Cc1c(C)nc3sccn13)CC2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WCKCDWCOEUQUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2S/c1-4-29-8-5-6-18(29)14-25-23(32)22-19-15-28(9-7-20(19)31(27-22)10-12-33-3)16-21-17(2)26-24-30(21)11-13-34-24/h11,13,18H,4-10,12,14-16H2,1-3H3,(H,25,32).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 485.66 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45161179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).