5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine

C19H19N5O — CID 170352181

IUPAC5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine
SMILESNc1cc(-c2cc(C#CC3CCOCC3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C19H19N5O/c20-17-11-13(3-6-22-17)15-9-14(2-1-12-4-7-25-8-5-12)18-16(10-15)19(21)24-23-18/h3,6,9-12H,4-5,7-8H2,(H2,20,22)(H3,21,23,24)
InChIKeyWIJUNRFEQUQTLQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.57
Rot. Bonds1

About 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine

5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine (PubChem CID 170352181) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine
PubChem CID170352181
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine
SMILESNc1cc(-c2cc(C#CC3CCOCC3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C19H19N5O/c20-17-11-13(3-6-22-17)15-9-14(2-1-12-4-7-25-8-5-12)18-16(10-15)19(21)24-23-18/h3,6,9-12H,4-5,7-8H2,(H2,20,22)(H3,21,23,24)
InChIKeyWIJUNRFEQUQTLQ-UHFFFAOYSA-N
XLogP2.57
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]phenol
CID 170352094
1-[2-[3-amino-5-[2-(oxetan-3-ylamino)-4-pyridinyl]-1H-indazol-7-yl]ethynyl]cyclopentan-1-ol
CID 170352325
7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine
CID 170352257
5-(2-amino-4-pyridinyl)-7-(3-fluorophenyl)-1H-indazol-3-amine
CID 170351905
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide
CID 170352013
methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422434
5-[2-(cyclohexylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170352536
3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide
CID 170352278
7-(3,3-dimethylbut-1-ynyl)-5-[2-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 170352179
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 170352157
1-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]-3-phenylurea
CID 170352100
5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170351888

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine (CID 170352181) is 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine is Nc1cc(-c2cc(C#CC3CCOCC3)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine?
The InChIKey is WIJUNRFEQUQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-17-11-13(3-6-22-17)15-9-14(2-1-12-4-7-25-8-5-12)18-16(10-15)19(21)24-23-18/h3,6,9-12H,4-5,7-8H2,(H2,20,22)(H3,21,23,24).
What are the key properties of 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine?
5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine has a molecular weight of 333.40 g/mol, XLogP of 2.57, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine is sourced from PubChem (CID 170352181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).