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

C24H27N5O — CID 155151706

IUPAC4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESCN(C)CCNc1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4
InChIInChI=1S/C24H27N5O/c1-29(2)14-13-25-24-22-20(27-28-24)12-11-19-21(22)17-5-3-4-6-18(17)23(26-19)15-7-9-16(30)10-8-15/h7-12,30H,3-6,13-14H2,1-2H3,(H2,25,27,28)
InChIKeyVRBSURRNCDTHAV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.34
Rot. Bonds5

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

4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (PubChem CID 155151706) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
PubChem CID155151706
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol
SMILESCN(C)CCNc1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4
InChIInChI=1S/C24H27N5O/c1-29(2)14-13-25-24-22-20(27-28-24)12-11-19-21(22)17-5-3-4-6-18(17)23(26-19)15-7-9-16(30)10-8-15/h7-12,30H,3-6,13-14H2,1-2H3,(H2,25,27,28)
InChIKeyVRBSURRNCDTHAV-UHFFFAOYSA-N
XLogP4.34
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The IUPAC name of 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol (CID 155151706) is 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is CN(C)CCNc1n[nH]c2ccc3nc(-c4ccc(O)cc4)c4c(c3c12)CCCC4.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
The InChIKey is VRBSURRNCDTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-29(2)14-13-25-24-22-20(27-28-24)12-11-19-21(22)17-5-3-4-6-18(17)23(26-19)15-7-9-16(30)10-8-15/h7-12,30H,3-6,13-14H2,1-2H3,(H2,25,27,28).
What are the key properties of 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol?
4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol has a molecular weight of 401.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethylamino]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 155151706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).