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

C23H24N6O3S — CID 26231512

IUPAC1-(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
SMILESC[C@H](NC(=O)c1nn(CCO)c2c1CN(C(=O)c1cn3ccsc3n1)CC2)c1ccccc1
InChIInChI=1S/C23H24N6O3S/c1-15(16-5-3-2-4-6-16)24-21(31)20-17-13-27(8-7-19(17)29(26-20)9-11-30)22(32)18-14-28-10-12-33-23(28)25-18/h2-6,10,12,14-15,30H,7-9,11,13H2,1H3,(H,24,31)/t15-/m0/s1
InChIKeyPFRMCWKRXDSMQG-HNNXBMFYSA-N
MW464.55 g/mol
LogP2.27
Rot. Bonds6

About 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

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 (PubChem CID 26231512) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID26231512
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name1-(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
SMILESC[C@H](NC(=O)c1nn(CCO)c2c1CN(C(=O)c1cn3ccsc3n1)CC2)c1ccccc1
InChIInChI=1S/C23H24N6O3S/c1-15(16-5-3-2-4-6-16)24-21(31)20-17-13-27(8-7-19(17)29(26-20)9-11-30)22(32)18-14-28-10-12-33-23(28)25-18/h2-6,10,12,14-15,30H,7-9,11,13H2,1H3,(H,24,31)/t15-/m0/s1
InChIKeyPFRMCWKRXDSMQG-HNNXBMFYSA-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[2,1-b][1,3]thiazole-6-carbonyl)-N-[(1S)-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[2,1-b][1,3]thiazole-6-carbonyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](NC(=O)c1nn(CCO)c2c1CN(C(=O)c1cn3ccsc3n1)CC2)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is PFRMCWKRXDSMQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-15(16-5-3-2-4-6-16)24-21(31)20-17-13-27(8-7-19(17)29(26-20)9-11-30)22(32)18-14-28-10-12-33-23(28)25-18/h2-6,10,12,14-15,30H,7-9,11,13H2,1H3,(H,24,31)/t15-/m0/s1.
What are the key properties of 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?
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 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[2,1-b][1,3]thiazole-6-carbonyl)-N-[(1S)-1-phenylethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26231512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).