6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine

C17H18N4O — CID 171554154

IUPAC6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine
SMILESCc1cc(-c2cc3c(cnn3[C@@H]3CCOC3)cc2N)ccn1
InChIInChI=1S/C17H18N4O/c1-11-6-12(2-4-19-11)15-8-17-13(7-16(15)18)9-20-21(17)14-3-5-22-10-14/h2,4,6-9,14H,3,5,10,18H2,1H3/t14-/m1/s1
InChIKeyINJTVRVGOLCPDU-CQSZACIVSA-N
MW294.36 g/mol
LogP2.95
Rot. Bonds2

About 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine

6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine (PubChem CID 171554154) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine
PubChem CID171554154
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine
SMILESCc1cc(-c2cc3c(cnn3[C@@H]3CCOC3)cc2N)ccn1
InChIInChI=1S/C17H18N4O/c1-11-6-12(2-4-19-11)15-8-17-13(7-16(15)18)9-20-21(17)14-3-5-22-10-14/h2,4,6-9,14H,3,5,10,18H2,1H3/t14-/m1/s1
InChIKeyINJTVRVGOLCPDU-CQSZACIVSA-N
XLogP2.95
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine (CID 171554154) is 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine is Cc1cc(-c2cc3c(cnn3[C@@H]3CCOC3)cc2N)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine?
The InChIKey is INJTVRVGOLCPDU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-12(2-4-19-11)15-8-17-13(7-16(15)18)9-20-21(17)14-3-5-22-10-14/h2,4,6-9,14H,3,5,10,18H2,1H3/t14-/m1/s1.
What are the key properties of 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine?
6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine has a molecular weight of 294.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine is sourced from PubChem (CID 171554154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).