morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)

C18H24F6N4O6 — CID 118745554

IUPACmorpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1CCc2[nH]nc(C(=O)N3CCOCC3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.2C2HF3O2/c1-10(2)18-4-3-12-11(9-18)13(16-15-12)14(19)17-5-7-20-8-6-17;2*3-2(4,5)1(6)7/h10H,3-9H2,1-2H3,(H,15,16);2*(H,6,7)
InChIKeyKWVIEUWSUNOUGG-UHFFFAOYSA-N
MW506.40 g/mol
LogP1.92
Rot. Bonds2

About morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)

morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745554) has the molecular formula C18H24F6N4O6 and a molecular weight of 506.40 g/mol. Its IUPAC name is morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namemorpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745554
Molecular FormulaC18H24F6N4O6
Molecular Weight506.40 g/mol
Exact Mass506.16
IUPAC Namemorpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1CCc2[nH]nc(C(=O)N3CCOCC3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.2C2HF3O2/c1-10(2)18-4-3-12-11(9-18)13(16-15-12)14(19)17-5-7-20-8-6-17;2*3-2(4,5)1(6)7/h10H,3-9H2,1-2H3,(H,15,16);2*(H,6,7)
InChIKeyKWVIEUWSUNOUGG-UHFFFAOYSA-N
XLogP1.92
TPSA136.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561
(4-Methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97367677
(4-Methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97388964
[5-(Oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461854
Morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97461861
1-[3-(Morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
(6-Butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
CID 118738770
(4-Methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799
[5-(Oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 118745576
Morpholin-4-yl-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118745578
(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
CID 42873447

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid) (CID 118745554) is morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid) is CC(C)N1CCc2[nH]nc(C(=O)N3CCOCC3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KWVIEUWSUNOUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.2C2HF3O2/c1-10(2)18-4-3-12-11(9-18)13(16-15-12)14(19)17-5-7-20-8-6-17;2*3-2(4,5)1(6)7/h10H,3-9H2,1-2H3,(H,15,16);2*(H,6,7).
What are the key properties of morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)?
morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 506.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).