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

C26H24N6O — CID 170610597

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C26H24N6O/c1-32-13-12-27-23(32)15-28-26(33)17-8-6-16(7-9-17)25-19-5-3-2-4-18(19)24-20-14-29-31-21(20)10-11-22(24)30-25/h6-14H,2-5,15H2,1H3,(H,28,33)(H,29,31)
InChIKeyZKSYNPKNXOUJRX-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.32
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide (PubChem CID 170610597) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
PubChem CID170610597
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
InChIInChI=1S/C26H24N6O/c1-32-13-12-27-23(32)15-28-26(33)17-8-6-16(7-9-17)25-19-5-3-2-4-18(19)24-20-14-29-31-21(20)10-11-22(24)30-25/h6-14H,2-5,15H2,1H3,(H,28,33)(H,29,31)
InChIKeyZKSYNPKNXOUJRX-UHFFFAOYSA-N
XLogP4.32
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide (CID 170610597) is N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide is Cn1ccnc1CNC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
The InChIKey is ZKSYNPKNXOUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-32-13-12-27-23(32)15-28-26(33)17-8-6-16(7-9-17)25-19-5-3-2-4-18(19)24-20-14-29-31-21(20)10-11-22(24)30-25/h6-14H,2-5,15H2,1H3,(H,28,33)(H,29,31).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide?
N-[(1-methylimidazol-2-yl)methyl]-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 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide is sourced from PubChem (CID 170610597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).