2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide

C27H25N9O — CID 155151856

IUPAC2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc(-c2n[nH]c3ccc4nc(-c5ccc6[nH]ncc6c5)c5c(c4c23)CCCC5)n1
InChIInChI=1S/C27H25N9O/c1-35(2)23(37)14-36-29-13-22(34-36)27-25-21(32-33-27)10-9-20-24(25)17-5-3-4-6-18(17)26(30-20)15-7-8-19-16(11-15)12-28-31-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)(H,32,33)
InChIKeyDTWXWIDYLOLOEW-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.88
Rot. Bonds4

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

2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide (PubChem CID 155151856) has the molecular formula C27H25N9O and a molecular weight of 491.56 g/mol. Its IUPAC name is 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide
PubChem CID155151856
Molecular FormulaC27H25N9O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC Name2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc(-c2n[nH]c3ccc4nc(-c5ccc6[nH]ncc6c5)c5c(c4c23)CCCC5)n1
InChIInChI=1S/C27H25N9O/c1-35(2)23(37)14-36-29-13-22(34-36)27-25-21(32-33-27)10-9-20-24(25)17-5-3-4-6-18(17)26(30-20)15-7-8-19-16(11-15)12-28-31-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)(H,32,33)
InChIKeyDTWXWIDYLOLOEW-UHFFFAOYSA-N
XLogP3.88
TPSA121.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide (CID 155151856) is 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ncc(-c2n[nH]c3ccc4nc(-c5ccc6[nH]ncc6c5)c5c(c4c23)CCCC5)n1.
What is the InChIKey of 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is DTWXWIDYLOLOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9O/c1-35(2)23(37)14-36-29-13-22(34-36)27-25-21(32-33-27)10-9-20-24(25)17-5-3-4-6-18(17)26(30-20)15-7-8-19-16(11-15)12-28-31-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)(H,32,33).
What are the key properties of 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide?
2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 491.56 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 155151856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).