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

C23H26N6O2S — CID 26133277

IUPACN-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1nc2sccn2c1CN1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1
InChIInChI=1S/C23H26N6O2S/c1-16-20(28-10-12-32-23(28)25-16)15-27-8-7-19-18(14-27)21(26-29(19)9-11-30)22(31)24-13-17-5-3-2-4-6-17/h2-6,10,12,30H,7-9,11,13-15H2,1H3,(H,24,31)
InChIKeyKLVNVKCOFZRDHR-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.38
Rot. Bonds7

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

N-benzyl-1-(2-hydroxyethyl)-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 26133277) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is N-benzyl-1-(2-hydroxyethyl)-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-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26133277
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC NameN-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1nc2sccn2c1CN1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1
InChIInChI=1S/C23H26N6O2S/c1-16-20(28-10-12-32-23(28)25-16)15-27-8-7-19-18(14-27)21(26-29(19)9-11-30)22(31)24-13-17-5-3-2-4-6-17/h2-6,10,12,30H,7-9,11,13-15H2,1H3,(H,24,31)
InChIKeyKLVNVKCOFZRDHR-UHFFFAOYSA-N
XLogP2.38
TPSA87.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-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 N-benzyl-1-(2-hydroxyethyl)-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-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26133277) is N-benzyl-1-(2-hydroxyethyl)-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-benzyl-1-(2-hydroxyethyl)-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-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1nc2sccn2c1CN1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1.
What is the InChIKey of N-benzyl-1-(2-hydroxyethyl)-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 KLVNVKCOFZRDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-16-20(28-10-12-32-23(28)25-16)15-27-8-7-19-18(14-27)21(26-29(19)9-11-30)22(31)24-13-17-5-3-2-4-6-17/h2-6,10,12,30H,7-9,11,13-15H2,1H3,(H,24,31).
What are the key properties of N-benzyl-1-(2-hydroxyethyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-1-(2-hydroxyethyl)-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 450.57 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-hydroxyethyl)-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 26133277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).