N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide

C26H24N6O — CID 171364989

IUPACN-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
SMILESO=C(NCCn1ccnc1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C26H24N6O/c33-26(28-12-14-32-13-11-27-16-32)18-7-5-17(6-8-18)25-20-4-2-1-3-19(20)24-21-15-29-31-22(21)9-10-23(24)30-25/h5-11,13,15-16H,1-4,12,14H2,(H,28,33)(H,29,31)
InChIKeyZZWXWDSCDZVDFJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.28
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide

N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide (PubChem CID 171364989) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
PubChem CID171364989
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
SMILESO=C(NCCn1ccnc1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C26H24N6O/c33-26(28-12-14-32-13-11-27-16-32)18-7-5-17(6-8-18)25-20-4-2-1-3-19(20)24-21-15-29-31-22(21)9-10-23(24)30-25/h5-11,13,15-16H,1-4,12,14H2,(H,28,33)(H,29,31)
InChIKeyZZWXWDSCDZVDFJ-UHFFFAOYSA-N
XLogP4.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide (CID 171364989) is N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide is O=C(NCCn1ccnc1)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
The InChIKey is ZZWXWDSCDZVDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c33-26(28-12-14-32-13-11-27-16-32)18-7-5-17(6-8-18)25-20-4-2-1-3-19(20)24-21-15-29-31-22(21)9-10-23(24)30-25/h5-11,13,15-16H,1-4,12,14H2,(H,28,33)(H,29,31).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide has a molecular weight of 436.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide is sourced from PubChem (CID 171364989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).