6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole

C20H24N4O — CID 145028092

IUPAC6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
SMILESCCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-3-15(2)25-18-7-6-16-14-22-24(19(16)13-18)17-8-9-21-20(12-17)23-10-4-5-11-23/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyJDEWFJVSUKHPHC-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.20
Rot. Bonds5

About 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole

6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole (PubChem CID 145028092) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole.

Molecular Properties

Compound Name6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
PubChem CID145028092
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
SMILESCCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCC4)c3)c2c1
InChIInChI=1S/C20H24N4O/c1-3-15(2)25-18-7-6-16-14-22-24(19(16)13-18)17-8-9-21-20(12-17)23-10-4-5-11-23/h6-9,12-15H,3-5,10-11H2,1-2H3
InChIKeyJDEWFJVSUKHPHC-UHFFFAOYSA-N
XLogP4.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
CID 142556902
(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
CID 156661933
1-ethyl-3-[2-(3-methylphenoxy)propyl]-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111685701
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
3-[[2-[4-(4-aminophenyl)piperazin-1-yl]-4-pyridinyl]oxy]butanoic acid
CID 173063677
1-(3-butan-2-yloxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64949965
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
N-[(2-indazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62293767
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The IUPAC name of 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole (CID 145028092) is 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole.
What is the SMILES notation for 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The canonical SMILES for 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole is CCC(C)Oc1ccc2cnn(-c3ccnc(N4CCCC4)c3)c2c1.
What is the InChIKey of 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
The InChIKey is JDEWFJVSUKHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-15(2)25-18-7-6-16-14-22-24(19(16)13-18)17-8-9-21-20(12-17)23-10-4-5-11-23/h6-9,12-15H,3-5,10-11H2,1-2H3.
What are the key properties of 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole?
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole has a molecular weight of 336.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole is sourced from PubChem (CID 145028092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).