6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide

C21H20N6O2 — CID 118664417

IUPAC6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCCO)n4)c3c2)c1
InChIInChI=1S/C21H20N6O2/c22-17-9-16(11-23-13-17)14-5-6-15-12-25-27(19(15)10-14)20-4-1-3-18(26-20)21(29)24-7-2-8-28/h1,3-6,9-13,28H,2,7-8,22H2,(H,24,29)
InChIKeyLCVAEIIYEORSRI-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.18
Rot. Bonds6

About 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide

6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 118664417) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
PubChem CID118664417
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCCO)n4)c3c2)c1
InChIInChI=1S/C21H20N6O2/c22-17-9-16(11-23-13-17)14-5-6-15-12-25-27(19(15)10-14)20-4-1-3-18(26-20)21(29)24-7-2-8-28/h1,3-6,9-13,28H,2,7-8,22H2,(H,24,29)
InChIKeyLCVAEIIYEORSRI-UHFFFAOYSA-N
XLogP2.18
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Gsk 343
CID 71268957
Unc1999
CID 72551585
Piperazine, 1-((6-formyl-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454727
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338820
5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162645658
5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162668309
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 10001836

Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide (CID 118664417) is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide is Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)NCCCO)n4)c3c2)c1.
What is the InChIKey of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The InChIKey is LCVAEIIYEORSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-17-9-16(11-23-13-17)14-5-6-15-12-25-27(19(15)10-14)20-4-1-3-18(26-20)21(29)24-7-2-8-28/h1,3-6,9-13,28H,2,7-8,22H2,(H,24,29).
What are the key properties of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide?
6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 118664417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).