1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine

C18H21N5O — CID 163361114

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
SMILESC[C@@H]1CN(c2cc(-n3ncc4cc(N)ccc43)ccn2)C[C@H](C)O1
InChIInChI=1S/C18H21N5O/c1-12-10-22(11-13(2)24-12)18-8-16(5-6-20-18)23-17-4-3-15(19)7-14(17)9-21-23/h3-9,12-13H,10-11,19H2,1-2H3/t12-,13+
InChIKeySFKTYSPNQHVKTQ-BETUJISGSA-N
MW323.40 g/mol
LogP2.62
Rot. Bonds2

About 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine (PubChem CID 163361114) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
PubChem CID163361114
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
SMILESC[C@@H]1CN(c2cc(-n3ncc4cc(N)ccc43)ccn2)C[C@H](C)O1
InChIInChI=1S/C18H21N5O/c1-12-10-22(11-13(2)24-12)18-8-16(5-6-20-18)23-17-4-3-15(19)7-14(17)9-21-23/h3-9,12-13H,10-11,19H2,1-2H3/t12-,13+
InChIKeySFKTYSPNQHVKTQ-BETUJISGSA-N
XLogP2.62
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-phenylindazol-5-amine
CID 83414114
4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine
CID 171069212
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyridin-4-amine
CID 104957780
4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine
CID 178129657
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-amine
CID 77459584
1-[4,6-bis(2,6-dimethylmorpholin-4-yl)pyrimidin-2-yl]-2-(difluoromethyl)benzimidazol-5-amine
CID 11955852
1-(2-methylpyrimidin-4-yl)indazol-6-amine
CID 55113053

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine (CID 163361114) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine is C[C@@H]1CN(c2cc(-n3ncc4cc(N)ccc43)ccn2)C[C@H](C)O1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine?
The InChIKey is SFKTYSPNQHVKTQ-BETUJISGSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-22(11-13(2)24-12)18-8-16(5-6-20-18)23-17-4-3-15(19)7-14(17)9-21-23/h3-9,12-13H,10-11,19H2,1-2H3/t12-,13+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine has a molecular weight of 323.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine is sourced from PubChem (CID 163361114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).