7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

C26H20F3N7 — CID 155151727

IUPAC7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCn1nc(-c2n[nH]c3ccc4nc(-c5ccc6[nH]ncc6c5)c5c(c4c23)CCCC5)cc1C(F)(F)F
InChIInChI=1S/C26H20F3N7/c1-36-21(26(27,28)29)11-20(35-36)25-23-19(33-34-25)9-8-18-22(23)15-4-2-3-5-16(15)24(31-18)13-6-7-17-14(10-13)12-30-32-17/h6-12H,2-5H2,1H3,(H,30,32)(H,33,34)
InChIKeyHXVZRZWGORCYOJ-UHFFFAOYSA-N
MW487.49 g/mol
LogP5.95
Rot. Bonds2

About 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 155151727) has the molecular formula C26H20F3N7 and a molecular weight of 487.49 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID155151727
Molecular FormulaC26H20F3N7
Molecular Weight487.49 g/mol
Exact Mass487.17
IUPAC Name7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESCn1nc(-c2n[nH]c3ccc4nc(-c5ccc6[nH]ncc6c5)c5c(c4c23)CCCC5)cc1C(F)(F)F
InChIInChI=1S/C26H20F3N7/c1-36-21(26(27,28)29)11-20(35-36)25-23-19(33-34-25)9-8-18-22(23)15-4-2-3-5-16(15)24(31-18)13-6-7-17-14(10-13)12-30-32-17/h6-12H,2-5H2,1H3,(H,30,32)(H,33,34)
InChIKeyHXVZRZWGORCYOJ-UHFFFAOYSA-N
XLogP5.95
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (CID 155151727) is 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is Cn1nc(-c2n[nH]c3ccc4nc(-c5ccc6[nH]ncc6c5)c5c(c4c23)CCCC5)cc1C(F)(F)F.
What is the InChIKey of 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is HXVZRZWGORCYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N7/c1-36-21(26(27,28)29)11-20(35-36)25-23-19(33-34-25)9-8-18-22(23)15-4-2-3-5-16(15)24(31-18)13-6-7-17-14(10-13)12-30-32-17/h6-12H,2-5H2,1H3,(H,30,32)(H,33,34).
What are the key properties of 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 487.49 g/mol, XLogP of 5.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 155151727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).