(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

C24H24F3N7O — CID 155151734

IUPAC(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CC1
InChIInChI=1S/C24H24F3N7O/c1-33-8-10-34(11-9-33)23(35)21-19-17(30-31-21)7-6-16-18(19)13-4-2-3-5-14(13)20(29-16)15-12-28-32-22(15)24(25,26)27/h6-7,12H,2-5,8-11H2,1H3,(H,28,32)(H,30,31)
InChIKeyGSZYQWQWMVIRQR-UHFFFAOYSA-N
MW483.50 g/mol
LogP3.79
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (PubChem CID 155151734) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
PubChem CID155151734
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CC1
InChIInChI=1S/C24H24F3N7O/c1-33-8-10-34(11-9-33)23(35)21-19-17(30-31-21)7-6-16-18(19)13-4-2-3-5-14(13)20(29-16)15-12-28-32-22(15)24(25,26)27/h6-7,12H,2-5,8-11H2,1H3,(H,28,32)(H,30,31)
InChIKeyGSZYQWQWMVIRQR-UHFFFAOYSA-N
XLogP3.79
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (CID 155151734) is (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is CN1CCN(C(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
The InChIKey is GSZYQWQWMVIRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-33-8-10-34(11-9-33)23(35)21-19-17(30-31-21)7-6-16-18(19)13-4-2-3-5-14(13)20(29-16)15-12-28-32-22(15)24(25,26)27/h6-7,12H,2-5,8-11H2,1H3,(H,28,32)(H,30,31).
What are the key properties of (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone has a molecular weight of 483.50 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is sourced from PubChem (CID 155151734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).