2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole

C35H32N4O — CID 130317971

IUPAC2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESc1cncc(C2(c3ccc(-c4c5c(nn4C4CCCCO4)CCCC5)nc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C35H32N4O/c1-4-14-29-26(11-1)27-12-2-5-15-30(27)35(29,24-10-9-20-36-22-24)25-18-19-32(37-23-25)34-28-13-3-6-16-31(28)38-39(34)33-17-7-8-21-40-33/h1-2,4-5,9-12,14-15,18-20,22-23,33H,3,6-8,13,16-17,21H2
InChIKeyLZAPJZJIVWWXQA-UHFFFAOYSA-N
MW524.67 g/mol
LogP7.28
Rot. Bonds4

About 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole

2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole (PubChem CID 130317971) has the molecular formula C35H32N4O and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
PubChem CID130317971
Molecular FormulaC35H32N4O
Molecular Weight524.67 g/mol
Exact Mass524.26
IUPAC Name2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
SMILESc1cncc(C2(c3ccc(-c4c5c(nn4C4CCCCO4)CCCC5)nc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C35H32N4O/c1-4-14-29-26(11-1)27-12-2-5-15-30(27)35(29,24-10-9-20-36-22-24)25-18-19-32(37-23-25)34-28-13-3-6-16-31(28)38-39(34)33-17-7-8-21-40-33/h1-2,4-5,9-12,14-15,18-20,22-23,33H,3,6-8,13,16-17,21H2
InChIKeyLZAPJZJIVWWXQA-UHFFFAOYSA-N
XLogP7.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole (CID 130317971) is 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole is c1cncc(C2(c3ccc(-c4c5c(nn4C4CCCCO4)CCCC5)nc3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is LZAPJZJIVWWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O/c1-4-14-29-26(11-1)27-12-2-5-15-30(27)35(29,24-10-9-20-36-22-24)25-18-19-32(37-23-25)34-28-13-3-6-16-31(28)38-39(34)33-17-7-8-21-40-33/h1-2,4-5,9-12,14-15,18-20,22-23,33H,3,6-8,13,16-17,21H2.
What are the key properties of 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole?
2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 524.67 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 130317971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).