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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Related Compounds

4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
2-[2-[2-[3-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyrazol-1-yl]ethoxy]ethoxy]ethanamine
CID 155529825
1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186583
1-[3-(1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 137250528
6-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-1H-indole
CID 54587570
2-[4-[1-(Quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
CID 71739810
2-[4-[2-(Quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
CID 71739815
4-[5-(1H-indazol-3-yl)-3-pyridinyl]morpholine
CID 137646685
(E)-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
CID 164617429
(E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide
CID 164625470
7-[1-(oxan-4-yl)pyrazol-4-yl]-N-phenylquinolin-4-amine
CID 137647055

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).