1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone

C22H19N7O2 — CID 160644535

IUPAC1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)Cc4nnco4)c3c2c2c1CCCC2
InChIInChI=1S/C22H19N7O2/c1-11-14(9-23-26-11)21-13-5-3-2-4-12(13)19-15(25-21)6-7-16-20(19)22(29-27-16)17(30)8-18-28-24-10-31-18/h6-7,9-10H,2-5,8H2,1H3,(H,23,26)(H,27,29)
InChIKeyNMVRNKCUSLYTLY-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.50
Rot. Bonds4

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

1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone (PubChem CID 160644535) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone
PubChem CID160644535
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone
SMILESCc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)Cc4nnco4)c3c2c2c1CCCC2
InChIInChI=1S/C22H19N7O2/c1-11-14(9-23-26-11)21-13-5-3-2-4-12(13)19-15(25-21)6-7-16-20(19)22(29-27-16)17(30)8-18-28-24-10-31-18/h6-7,9-10H,2-5,8H2,1H3,(H,23,26)(H,27,29)
InChIKeyNMVRNKCUSLYTLY-UHFFFAOYSA-N
XLogP3.50
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-1-yl-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 158905146
7-(5-methyl-1H-pyrazol-4-yl)-1-pyridin-4-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 158744167
N-(5-methyl-1,3,4-thiadiazol-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 155151754
N-(1H-pyrazol-4-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 155151753
[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone
CID 163917843
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
CID 155151663
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
CID 155151626
N',N'-dimethyl-N-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine
CID 155151627
9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 155619047
7-(5-methyl-1H-pyrazol-4-yl)-9-propan-2-yl-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 161468389
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;molecular hydrogen;sulfane
CID 163452708

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone?
The IUPAC name of 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone (CID 160644535) is 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone.
What is the SMILES notation for 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone?
The canonical SMILES for 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone is Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)Cc4nnco4)c3c2c2c1CCCC2.
What is the InChIKey of 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone?
The InChIKey is NMVRNKCUSLYTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-11-14(9-23-26-11)21-13-5-3-2-4-12(13)19-15(25-21)6-7-16-20(19)22(29-27-16)17(30)8-18-28-24-10-31-18/h6-7,9-10H,2-5,8H2,1H3,(H,23,26)(H,27,29).
What are the key properties of 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone?
1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone has a molecular weight of 413.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-(1,3,4-oxadiazol-2-yl)ethanone is sourced from PubChem (CID 160644535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).