5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one

C21H22N6O2 — CID 170351850

IUPAC5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one
SMILESNc1nccc(-c2ccc3[nH]nc(N)c3c2)c1C#CCCC(=O)N1CCOCC1
InChIInChI=1S/C21H22N6O2/c22-20-16(3-1-2-4-19(28)27-9-11-29-12-10-27)15(7-8-24-20)14-5-6-18-17(13-14)21(23)26-25-18/h5-8,13H,2,4,9-12H2,(H2,22,24)(H3,23,25,26)
InChIKeyLOXCTZGTFQQXLC-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.78
Rot. Bonds3

About 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one

5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one (PubChem CID 170351850) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one.

Molecular Properties

Compound Name5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one
PubChem CID170351850
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one
SMILESNc1nccc(-c2ccc3[nH]nc(N)c3c2)c1C#CCCC(=O)N1CCOCC1
InChIInChI=1S/C21H22N6O2/c22-20-16(3-1-2-4-19(28)27-9-11-29-12-10-27)15(7-8-24-20)14-5-6-18-17(13-14)21(23)26-25-18/h5-8,13H,2,4,9-12H2,(H2,22,24)(H3,23,25,26)
InChIKeyLOXCTZGTFQQXLC-UHFFFAOYSA-N
XLogP1.78
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]ethyl]cyclohexan-1-ol
CID 170352169
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422434
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
CID 85472354
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
3-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methylamino]propanenitrile
CID 85472357
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
CID 172571056
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186207
2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11565619

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one?
The IUPAC name of 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one (CID 170351850) is 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one.
What is the SMILES notation for 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one?
The canonical SMILES for 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one is Nc1nccc(-c2ccc3[nH]nc(N)c3c2)c1C#CCCC(=O)N1CCOCC1.
What is the InChIKey of 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one?
The InChIKey is LOXCTZGTFQQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-20-16(3-1-2-4-19(28)27-9-11-29-12-10-27)15(7-8-24-20)14-5-6-18-17(13-14)21(23)26-25-18/h5-8,13H,2,4,9-12H2,(H2,22,24)(H3,23,25,26).
What are the key properties of 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one?
5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one has a molecular weight of 390.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(3-amino-1H-indazol-5-yl)-3-pyridinyl]-1-morpholin-4-ylpent-4-yn-1-one is sourced from PubChem (CID 170351850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).