1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C27H30IN7O2 — CID 10121688

IUPAC1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESN#Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1
InChIInChI=1S/C27H30IN7O2/c28-21-7-5-19(6-8-21)26-23-18-34(27(30)37)10-9-25(23)35(31-26)17-22(36)16-32-11-13-33(14-12-32)24-4-2-1-3-20(24)15-29/h1-8,22,36H,9-14,16-18H2,(H2,30,37)
InChIKeyJZPAUGWNUBMJNM-UHFFFAOYSA-N
MW611.49 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 10121688) has the molecular formula C27H30IN7O2 and a molecular weight of 611.49 g/mol. Its IUPAC name is 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID10121688
Molecular FormulaC27H30IN7O2
Molecular Weight611.49 g/mol
Exact Mass611.15
IUPAC Name1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESN#Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1
InChIInChI=1S/C27H30IN7O2/c28-21-7-5-19(6-8-21)26-23-18-34(27(30)37)10-9-25(23)35(31-26)17-22(36)16-32-11-13-33(14-12-32)24-4-2-1-3-20(24)15-29/h1-8,22,36H,9-14,16-18H2,(H2,30,37)
InChIKeyJZPAUGWNUBMJNM-UHFFFAOYSA-N
XLogP2.65
TPSA114.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 10121688) is 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is N#Cc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1.
What is the InChIKey of 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is JZPAUGWNUBMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30IN7O2/c28-21-7-5-19(6-8-21)26-23-18-34(27(30)37)10-9-25(23)35(31-26)17-22(36)16-32-11-13-33(14-12-32)24-4-2-1-3-20(24)15-29/h1-8,22,36H,9-14,16-18H2,(H2,30,37).
What are the key properties of 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 611.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-cyanophenyl)piperazin-1-yl]-2-hydroxypropyl]-3-(4-iodophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10121688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).