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

C22H17F3N8O — CID 155151753

IUPACN-(1H-pyrazol-4-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4
InChIInChI=1S/C22H17F3N8O/c23-22(24,25)20-13(9-28-33-20)18-12-4-2-1-3-11(12)16-14(30-18)5-6-15-17(16)19(32-31-15)21(34)29-10-7-26-27-8-10/h5-9H,1-4H2,(H,26,27)(H,28,33)(H,29,34)(H,31,32)
InChIKeyQZANMEQJBAONQM-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.37
Rot. Bonds3

About 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

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 (PubChem CID 155151753) has the molecular formula C22H17F3N8O and a molecular weight of 466.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
PubChem CID155151753
Molecular FormulaC22H17F3N8O
Molecular Weight466.43 g/mol
Exact Mass466.15
IUPAC NameN-(1H-pyrazol-4-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4
InChIInChI=1S/C22H17F3N8O/c23-22(24,25)20-13(9-28-33-20)18-12-4-2-1-3-11(12)16-14(30-18)5-6-15-17(16)19(32-31-15)21(34)29-10-7-26-27-8-10/h5-9H,1-4H2,(H,26,27)(H,28,33)(H,29,34)(H,31,32)
InChIKeyQZANMEQJBAONQM-UHFFFAOYSA-N
XLogP4.37
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cn[nH]c1)c1n[nH]c2ccc3nc(-c4cn[nH]c4C(F)(F)F)c4c(c3c12)CCCC4.
What is the InChIKey of 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?
The InChIKey is QZANMEQJBAONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N8O/c23-22(24,25)20-13(9-28-33-20)18-12-4-2-1-3-11(12)16-14(30-18)5-6-15-17(16)19(32-31-15)21(34)29-10-7-26-27-8-10/h5-9H,1-4H2,(H,26,27)(H,28,33)(H,29,34)(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 466.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155151753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).