4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

C23H24N4O2 — CID 155151705

IUPAC4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESCN(CCO)c1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4
InChIInChI=1S/C23H24N4O2/c1-27(12-13-28)23-21-19(25-26-23)11-10-18-20(21)16-4-2-3-5-17(16)22(24-18)14-6-8-15(29)9-7-14/h6-11,28-29H,2-5,12-13H2,1H3,(H,25,26)
InChIKeyUSULAWPKLPPWRS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.79
Rot. Bonds4

About 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol

4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (PubChem CID 155151705) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.

Molecular Properties

Compound Name4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
PubChem CID155151705
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESCN(CCO)c1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4
InChIInChI=1S/C23H24N4O2/c1-27(12-13-28)23-21-19(25-26-23)11-10-18-20(21)16-4-2-3-5-17(16)22(24-18)14-6-8-15(29)9-7-14/h6-11,28-29H,2-5,12-13H2,1H3,(H,25,26)
InChIKeyUSULAWPKLPPWRS-UHFFFAOYSA-N
XLogP3.79
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The IUPAC name of 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (CID 155151705) is 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.
What is the SMILES notation for 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The canonical SMILES for 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is CN(CCO)c1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.
What is the InChIKey of 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The InChIKey is USULAWPKLPPWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(12-13-28)23-21-19(25-26-23)11-10-18-20(21)16-4-2-3-5-17(16)22(24-18)14-6-8-15(29)9-7-14/h6-11,28-29H,2-5,12-13H2,1H3,(H,25,26).
What are the key properties of 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol has a molecular weight of 388.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-hydroxyethyl(methyl)amino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 155151705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).