N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide

C21H25N3O6 — CID 166797449

IUPACN-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1cc(C#CC2OC(CO)[C@@H](O)C(O)C2O)c2[nH]ncc2c1
InChIInChI=1S/C21H25N3O6/c25-10-16-19(27)20(28)18(26)15(30-16)6-5-11-7-12(8-13-9-22-24-17(11)13)21(29)23-14-3-1-2-4-14/h7-9,14-16,18-20,25-28H,1-4,10H2,(H,22,24)(H,23,29)/t15?,16?,18?,19-,20?/m1/s1
InChIKeySIQRQWRUMYQXCO-KCKAIOALSA-N
MW415.45 g/mol
LogP-0.57
Rot. Bonds3

About N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide

N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide (PubChem CID 166797449) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide
PubChem CID166797449
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC NameN-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1cc(C#CC2OC(CO)[C@@H](O)C(O)C2O)c2[nH]ncc2c1
InChIInChI=1S/C21H25N3O6/c25-10-16-19(27)20(28)18(26)15(30-16)6-5-11-7-12(8-13-9-22-24-17(11)13)21(29)23-14-3-1-2-4-14/h7-9,14-16,18-20,25-28H,1-4,10H2,(H,22,24)(H,23,29)/t15?,16?,18?,19-,20?/m1/s1
InChIKeySIQRQWRUMYQXCO-KCKAIOALSA-N
XLogP-0.57
TPSA147.93 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 5-0.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[(2R,3S,4S,5S,6S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]ethynyl]-1H-indazole-5-carboxylic acid
CID 161076297
3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
CID 44816887
N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348775
(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]quinazolin-6-yl]ethynyl]oxane-3,4,5-triol
CID 144652763
2-(hydroxymethyl)-6-[2-[4-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]naphthalen-1-yl]ethynyl]oxane-3,4,5-triol
CID 123707080
(2R,3S,4R,5S,6R)-2-[2-[4-chloro-6-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]cyclodecyl]ethynyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 148507616
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol
CID 155598600
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[2-[3-propan-2-yloxy-4-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]ethynyl]oxane-3,4,5-triol
CID 76684947
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide (CID 166797449) is N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide is O=C(NC1CCCC1)c1cc(C#CC2OC(CO)[C@@H](O)C(O)C2O)c2[nH]ncc2c1.
What is the InChIKey of N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide?
The InChIKey is SIQRQWRUMYQXCO-KCKAIOALSA-N. The full InChI is InChI=1S/C21H25N3O6/c25-10-16-19(27)20(28)18(26)15(30-16)6-5-11-7-12(8-13-9-22-24-17(11)13)21(29)23-14-3-1-2-4-14/h7-9,14-16,18-20,25-28H,1-4,10H2,(H,22,24)(H,23,29)/t15?,16?,18?,19-,20?/m1/s1.
What are the key properties of N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide?
N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of -0.57, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-[2-[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 166797449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).