1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole

C30H35N5O — CID 177310165

IUPAC1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole
SMILESC1=CC(CN2CCCCC2)(c2ccc3c(c2)c(/C=C/c2cccnc2)nn3C2CCCCO2)CN=C1
InChIInChI=1S/C30H35N5O/c1-3-17-34(18-4-1)23-30(14-7-16-32-22-30)25-11-13-28-26(20-25)27(12-10-24-8-6-15-31-21-24)33-35(28)29-9-2-5-19-36-29/h6-8,10-16,20-21,29H,1-5,9,17-19,22-23H2/b12-10+
InChIKeyUGEISTBZBCSPGN-ZRDIBKRKSA-N
MW481.64 g/mol
LogP5.67
Rot. Bonds6

About 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole

1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole (PubChem CID 177310165) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole
PubChem CID177310165
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC Name1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole
SMILESC1=CC(CN2CCCCC2)(c2ccc3c(c2)c(/C=C/c2cccnc2)nn3C2CCCCO2)CN=C1
InChIInChI=1S/C30H35N5O/c1-3-17-34(18-4-1)23-30(14-7-16-32-22-30)25-11-13-28-26(20-25)27(12-10-24-8-6-15-31-21-24)33-35(28)29-9-2-5-19-36-29/h6-8,10-16,20-21,29H,1-5,9,17-19,22-23H2/b12-10+
InChIKeyUGEISTBZBCSPGN-ZRDIBKRKSA-N
XLogP5.67
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-(oxan-2-yl)-3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]indazole
CID 156501282
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazole
CID 175999633
4-[[5-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]-2-pyridinyl]methyl]morpholine
CID 134593880
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
CID 66831605
1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
CID 69421898
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 137365980
3-ethynyl-1-[(2S)-oxan-2-yl]indazole-5-carboxylic acid
CID 124673269
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
5-(2-methoxyethoxy)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90461100
2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 134593579

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole?
The IUPAC name of 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole (CID 177310165) is 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole.
What is the SMILES notation for 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole?
The canonical SMILES for 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole is C1=CC(CN2CCCCC2)(c2ccc3c(c2)c(/C=C/c2cccnc2)nn3C2CCCCO2)CN=C1.
What is the InChIKey of 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole?
The InChIKey is UGEISTBZBCSPGN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C30H35N5O/c1-3-17-34(18-4-1)23-30(14-7-16-32-22-30)25-11-13-28-26(20-25)27(12-10-24-8-6-15-31-21-24)33-35(28)29-9-2-5-19-36-29/h6-8,10-16,20-21,29H,1-5,9,17-19,22-23H2/b12-10+.
What are the key properties of 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole?
1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole has a molecular weight of 481.64 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-[3-(piperidin-1-ylmethyl)-2H-pyridin-3-yl]-3-[(E)-2-pyridin-3-ylethenyl]indazole is sourced from PubChem (CID 177310165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).