5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole

C21H25N5O — CID 78321211

IUPAC5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CC1
InChIInChI=1S/C21H25N5O/c1-21(6-7-21)27-16-3-4-18-17(14-16)20(24-23-18)15-5-8-22-19(13-15)26-11-9-25(2)10-12-26/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,23,24)
InChIKeyXUENIZYSCRSKRP-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.31
Rot. Bonds4

About 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole

5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole (PubChem CID 78321211) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
PubChem CID78321211
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CC1
InChIInChI=1S/C21H25N5O/c1-21(6-7-21)27-16-3-4-18-17(14-16)20(24-23-18)15-5-8-22-19(13-15)26-11-9-25(2)10-12-26/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,23,24)
InChIKeyXUENIZYSCRSKRP-UHFFFAOYSA-N
XLogP3.31
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 78324047
tert-butyl 2-methyl-4-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 166765004
(2S,3S,4S)-2-methyl-1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 78320567
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 90398386
5-(1-methylcyclopropyl)oxy-3-[6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 165137321
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899
5-(1-methylcyclopropyl)oxy-3-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-1H-indazole
CID 165136680
5-(1-methylcyclopropyl)oxy-3-[6-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]-1H-indazole
CID 90398252
4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 90400966
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
N-ethyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-N-propylpyridin-2-amine
CID 165137807

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole (CID 78321211) is 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The canonical SMILES for 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole is CN1CCN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ccn2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
The InChIKey is XUENIZYSCRSKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(6-7-21)27-16-3-4-18-17(14-16)20(24-23-18)15-5-8-22-19(13-15)26-11-9-25(2)10-12-26/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,23,24).
What are the key properties of 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole?
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole has a molecular weight of 363.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 78321211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).