[(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

C24H23F3N6O2 — CID 153199549

IUPAC[(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CCO1
InChIInChI=1S/C24H23F3N6O2/c1-12-11-33(8-9-35-12)23(34)21-19-17(30-31-21)7-6-16-18(19)13-4-2-3-5-14(13)20(29-16)15-10-28-32-22(15)24(25,26)27/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,28,32)(H,30,31)/t12-/m0/s1
InChIKeyWJQKLZZNQUUDEM-LBPRGKRZSA-N
MW484.48 g/mol
LogP4.26
Rot. Bonds2

About [(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

[(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (PubChem CID 153199549) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is [(2S)-2-methylmorpholin-4-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[(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
PubChem CID153199549
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name[(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CCO1
InChIInChI=1S/C24H23F3N6O2/c1-12-11-33(8-9-35-12)23(34)21-19-17(30-31-21)7-6-16-18(19)13-4-2-3-5-14(13)20(29-16)15-10-28-32-22(15)24(25,26)27/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,28,32)(H,30,31)/t12-/m0/s1
InChIKeyWJQKLZZNQUUDEM-LBPRGKRZSA-N
XLogP4.26
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylmorpholin-4-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 [(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (CID 153199549) is [(2S)-2-methylmorpholin-4-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 [(2S)-2-methylmorpholin-4-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 [(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is C[C@H]1CN(C(=O)c2n[nH]c3ccc4nc(-c5cn[nH]c5C(F)(F)F)c5c(c4c23)CCCC5)CCO1.
What is the InChIKey of [(2S)-2-methylmorpholin-4-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 WJQKLZZNQUUDEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-12-11-33(8-9-35-12)23(34)21-19-17(30-31-21)7-6-16-18(19)13-4-2-3-5-14(13)20(29-16)15-10-28-32-22(15)24(25,26)27/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,28,32)(H,30,31)/t12-/m0/s1.
What are the key properties of [(2S)-2-methylmorpholin-4-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?
[(2S)-2-methylmorpholin-4-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 484.48 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylmorpholin-4-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 153199549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).