(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C13H13IN4O2 — CID 125481278

IUPAC(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(I)ccn2)c2c1CC[C@H](O)C2
InChIInChI=1S/C13H13IN4O2/c14-7-3-4-16-11(5-7)18-10-6-8(19)1-2-9(10)12(17-18)13(15)20/h3-5,8,19H,1-2,6H2,(H2,15,20)/t8-/m0/s1
InChIKeyNVSLAGSYVMENGJ-QMMMGPOBSA-N
MW384.18 g/mol
LogP0.82
Rot. Bonds2

About (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 125481278) has the molecular formula C13H13IN4O2 and a molecular weight of 384.18 g/mol. Its IUPAC name is (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID125481278
Molecular FormulaC13H13IN4O2
Molecular Weight384.18 g/mol
Exact Mass384.01
IUPAC Name(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(I)ccn2)c2c1CC[C@H](O)C2
InChIInChI=1S/C13H13IN4O2/c14-7-3-4-16-11(5-7)18-10-6-8(19)1-2-9(10)12(17-18)13(15)20/h3-5,8,19H,1-2,6H2,(H2,15,20)/t8-/m0/s1
InChIKeyNVSLAGSYVMENGJ-QMMMGPOBSA-N
XLogP0.82
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-hydroxy-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate;2-fluoro-4-iodopyridine;6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 160545584
1-(2-methyl-4-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 123591511
1-[4-[2-(3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl)ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 123789662
1-[4-[2-(4-hydroxy-1-methyl-2-oxopiperidin-4-yl)ethynyl]-2-pyridinyl]-5a-methyl-4,4a,5,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 123412262
1-[4-[5-[formyl(methyl)amino]-3-hydroxy-3-methylpent-1-ynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 123989257
1-[4-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]-2-pyridinyl]-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide
CID 123443810
(5S)-1-[4-[2-[(3S)-1,3-dimethyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-6,6-dimethyl-5-phenylmethoxy-5,7-dihydro-4H-indazole-3-carboxamide
CID 129155369
5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide
CID 123659210
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164587109
1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide
CID 67508228
6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59016559

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 125481278) is (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is NC(=O)c1nn(-c2cc(I)ccn2)c2c1CC[C@H](O)C2.
What is the InChIKey of (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is NVSLAGSYVMENGJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13IN4O2/c14-7-3-4-16-11(5-7)18-10-6-8(19)1-2-9(10)12(17-18)13(15)20/h3-5,8,19H,1-2,6H2,(H2,15,20)/t8-/m0/s1.
What are the key properties of (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 384.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 125481278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).