2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol

C28H30N6O — CID 155151651

IUPAC2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2c[nH]c3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc23)CC1
InChIInChI=1S/C28H30N6O/c35-14-13-33-9-11-34(12-10-33)26-17-29-23-6-5-18(15-21(23)26)28-20-4-2-1-3-19(20)27-22-16-30-32-24(22)7-8-25(27)31-28/h5-8,15-17,29,35H,1-4,9-14H2,(H,30,32)
InChIKeyJCRBSOMFINRVHB-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.25
Rot. Bonds4

About 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol

2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol (PubChem CID 155151651) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol
PubChem CID155151651
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2c[nH]c3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc23)CC1
InChIInChI=1S/C28H30N6O/c35-14-13-33-9-11-34(12-10-33)26-17-29-23-6-5-18(15-21(23)26)28-20-4-2-1-3-19(20)27-22-16-30-32-24(22)7-8-25(27)31-28/h5-8,15-17,29,35H,1-4,9-14H2,(H,30,32)
InChIKeyJCRBSOMFINRVHB-UHFFFAOYSA-N
XLogP4.25
TPSA84.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol (CID 155151651) is 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2c[nH]c3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc23)CC1.
What is the InChIKey of 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol?
The InChIKey is JCRBSOMFINRVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c35-14-13-33-9-11-34(12-10-33)26-17-29-23-6-5-18(15-21(23)26)28-20-4-2-1-3-19(20)27-22-16-30-32-24(22)7-8-25(27)31-28/h5-8,15-17,29,35H,1-4,9-14H2,(H,30,32).
What are the key properties of 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol?
2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol has a molecular weight of 466.59 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 155151651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).