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

C23H24N6O3S — CID 118933226

IUPAC1-(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
SMILESCC(NC(=O)c1nn(CCO)c2c1CN(C(=O)c1ncc3sccn13)CC2)c1ccccc1
InChIInChI=1S/C23H24N6O3S/c1-15(16-5-3-2-4-6-16)25-22(31)20-17-14-27(8-7-18(17)29(26-20)9-11-30)23(32)21-24-13-19-28(21)10-12-33-19/h2-6,10,12-13,15,30H,7-9,11,14H2,1H3,(H,25,31)
InChIKeyKUHNBWNXDSYIFR-UHFFFAOYSA-N
MW464.55 g/mol
LogP2.27
Rot. Bonds6

About 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

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 (PubChem CID 118933226) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID118933226
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name1-(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
SMILESCC(NC(=O)c1nn(CCO)c2c1CN(C(=O)c1ncc3sccn13)CC2)c1ccccc1
InChIInChI=1S/C23H24N6O3S/c1-15(16-5-3-2-4-6-16)25-22(31)20-17-14-27(8-7-18(17)29(26-20)9-11-30)23(32)21-24-13-19-28(21)10-12-33-19/h2-6,10,12-13,15,30H,7-9,11,14H2,1H3,(H,25,31)
InChIKeyKUHNBWNXDSYIFR-UHFFFAOYSA-N
XLogP2.27
TPSA104.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(NC(=O)c1nn(CCO)c2c1CN(C(=O)c1ncc3sccn13)CC2)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is KUHNBWNXDSYIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-15(16-5-3-2-4-6-16)25-22(31)20-17-14-27(8-7-18(17)29(26-20)9-11-30)23(32)21-24-13-19-28(21)10-12-33-19/h2-6,10,12-13,15,30H,7-9,11,14H2,1H3,(H,25,31).
What are the key properties of 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?
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 has a molecular weight of 464.55 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118933226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).