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

C22H17F3N8OS — CID 155151754

IUPACN-(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
SMILESCc1nnc(NC(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)s1
InChIInChI=1S/C22H17F3N8OS/c1-9-29-33-21(35-9)28-20(34)18-16-14(30-31-18)7-6-13-15(16)10-4-2-3-5-11(10)17(27-13)12-8-26-32-19(12)22(23,24)25/h6-8H,2-5H2,1H3,(H,26,32)(H,30,31)(H,28,33,34)
InChIKeyCZXPALDQPNSYTO-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.81
Rot. Bonds3

About 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

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 (PubChem CID 155151754) has the molecular formula C22H17F3N8OS and a molecular weight of 498.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID155151754
Molecular FormulaC22H17F3N8OS
Molecular Weight498.49 g/mol
Exact Mass498.12
IUPAC NameN-(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
SMILESCc1nnc(NC(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)s1
InChIInChI=1S/C22H17F3N8OS/c1-9-29-33-21(35-9)28-20(34)18-16-14(30-31-18)7-6-13-15(16)10-4-2-3-5-11(10)17(27-13)12-8-26-32-19(12)22(23,24)25/h6-8H,2-5H2,1H3,(H,26,32)(H,30,31)(H,28,33,34)
InChIKeyCZXPALDQPNSYTO-UHFFFAOYSA-N
XLogP4.81
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc(NC(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)s1.
What is the InChIKey of 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?
The InChIKey is CZXPALDQPNSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N8OS/c1-9-29-33-21(35-9)28-20(34)18-16-14(30-31-18)7-6-13-15(16)10-4-2-3-5-11(10)17(27-13)12-8-26-32-19(12)22(23,24)25/h6-8H,2-5H2,1H3,(H,26,32)(H,30,31)(H,28,33,34).
What are the key properties of 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?
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 has a molecular weight of 498.49 g/mol, XLogP of 4.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155151754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).