3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane

C26H31BrN5O2P — CID 166146302

IUPAC3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
SMILESCc1cccc(-c2c(-c3ccc4c(c3)c(Br)nn4C3CCCCO3)cnn2C2CCCCO2)n1.P
InChIInChI=1S/C26H28BrN5O2.H3P/c1-17-7-6-8-21(29-17)25-20(16-28-32(25)24-10-3-5-14-34-24)18-11-12-22-19(15-18)26(27)30-31(22)23-9-2-4-13-33-23;/h6-8,11-12,15-16,23-24H,2-5,9-10,13-14H2,1H3;1H3
InChIKeyUUZJMOWABYBQJS-UHFFFAOYSA-N
MW556.45 g/mol
LogP6.49
Rot. Bonds4

About 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane

3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane (PubChem CID 166146302) has the molecular formula C26H31BrN5O2P and a molecular weight of 556.45 g/mol. Its IUPAC name is 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane.

Molecular Properties

Compound Name3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
PubChem CID166146302
Molecular FormulaC26H31BrN5O2P
Molecular Weight556.45 g/mol
Exact Mass555.14
IUPAC Name3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
SMILESCc1cccc(-c2c(-c3ccc4c(c3)c(Br)nn4C3CCCCO3)cnn2C2CCCCO2)n1.P
InChIInChI=1S/C26H28BrN5O2.H3P/c1-17-7-6-8-21(29-17)25-20(16-28-32(25)24-10-3-5-14-34-24)18-11-12-22-19(15-18)26(27)30-31(22)23-9-2-4-13-33-23;/h6-8,11-12,15-16,23-24H,2-5,9-10,13-14H2,1H3;1H3
InChIKeyUUZJMOWABYBQJS-UHFFFAOYSA-N
XLogP6.49
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.45
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole
CID 166146394
3-bromo-5-(furan-2-yl)-1-(oxan-2-yl)indazole
CID 168525467
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
3-bromo-1-(oxolan-2-yl)indazole
CID 175417503
4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
CID 167427908
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 170649059
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane?
The IUPAC name of 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane (CID 166146302) is 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane.
What is the SMILES notation for 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane?
The canonical SMILES for 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane is Cc1cccc(-c2c(-c3ccc4c(c3)c(Br)nn4C3CCCCO3)cnn2C2CCCCO2)n1.P.
What is the InChIKey of 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane?
The InChIKey is UUZJMOWABYBQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN5O2.H3P/c1-17-7-6-8-21(29-17)25-20(16-28-32(25)24-10-3-5-14-34-24)18-11-12-22-19(15-18)26(27)30-31(22)23-9-2-4-13-33-23;/h6-8,11-12,15-16,23-24H,2-5,9-10,13-14H2,1H3;1H3.
What are the key properties of 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane?
3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane has a molecular weight of 556.45 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane is sourced from PubChem (CID 166146302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).