1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole

C24H28N4O — CID 175999633

IUPAC1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole
SMILESC(=C/c1nn(C2CCCCO2)c2ccccc12)\c1ccc(CN2CCCC2)cn1
InChIInChI=1S/C24H28N4O/c1-2-8-23-21(7-1)22(26-28(23)24-9-3-6-16-29-24)13-12-20-11-10-19(17-25-20)18-27-14-4-5-15-27/h1-2,7-8,10-13,17,24H,3-6,9,14-16,18H2/b13-12+
InChIKeyQDJJKKARIBFVMR-OUKQBFOZSA-N
MW388.51 g/mol
LogP4.90
Rot. Bonds5

About 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole

1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole (PubChem CID 175999633) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole
PubChem CID175999633
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole
SMILESC(=C/c1nn(C2CCCCO2)c2ccccc12)\c1ccc(CN2CCCC2)cn1
InChIInChI=1S/C24H28N4O/c1-2-8-23-21(7-1)22(26-28(23)24-9-3-6-16-29-24)13-12-20-11-10-19(17-25-20)18-27-14-4-5-15-27/h1-2,7-8,10-13,17,24H,3-6,9,14-16,18H2/b13-12+
InChIKeyQDJJKKARIBFVMR-OUKQBFOZSA-N
XLogP4.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazol-6-yl]sulfanylbenzamide
CID 175999699
5-bromo-1-(oxan-2-yl)-3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]indazole
CID 156501282
N-[2-[(E)-2-[1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]pyridin-2-amine
CID 68998017
6-nitro-1-[(2R)-oxan-2-yl]-3-[(E)-2-pyridin-2-ylethenyl]indazole
CID 86327965
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
3-fluoro-N-methyl-2-[1-(oxan-2-yl)-3-[(E)-2-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]ethenyl]indazol-6-yl]sulfanylbenzamide
CID 176891276
1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole
CID 177310165
6-[(E)-2-[1-(oxan-2-yl)indol-3-yl]ethenyl]pyridin-3-ol
CID 175999767
4-[[6-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridazin-3-yl]methyl]morpholine
CID 134593755
N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide
CID 73312181
6-bromo-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 86676267

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole?
The IUPAC name of 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole (CID 175999633) is 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole.
What is the SMILES notation for 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole?
The canonical SMILES for 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole is C(=C/c1nn(C2CCCCO2)c2ccccc12)\c1ccc(CN2CCCC2)cn1.
What is the InChIKey of 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole?
The InChIKey is QDJJKKARIBFVMR-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-8-23-21(7-1)22(26-28(23)24-9-3-6-16-29-24)13-12-20-11-10-19(17-25-20)18-27-14-4-5-15-27/h1-2,7-8,10-13,17,24H,3-6,9,14-16,18H2/b13-12+.
What are the key properties of 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole?
1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole has a molecular weight of 388.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole is sourced from PubChem (CID 175999633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).