1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid

C30H33F3N4O7S — CID 44581419

IUPAC1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H32N4O5S.C2HF3O2/c1-36-23-9-7-22(8-10-23)32-25-24(26(29-32)38(2,34)35)11-14-31(27(25)33)21-5-3-20(4-6-21)28(12-13-28)19-30-15-17-37-18-16-30;3-2(4,5)1(6)7/h3-10H,11-19H2,1-2H3;(H,6,7)
InChIKeyDHFOGQJPFDAUEY-UHFFFAOYSA-N
MW650.68 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid

1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid (PubChem CID 44581419) has the molecular formula C30H33F3N4O7S and a molecular weight of 650.68 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid
PubChem CID44581419
Molecular FormulaC30H33F3N4O7S
Molecular Weight650.68 g/mol
Exact Mass650.20
IUPAC Name1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H32N4O5S.C2HF3O2/c1-36-23-9-7-22(8-10-23)32-25-24(26(29-32)38(2,34)35)11-14-31(27(25)33)21-5-3-20(4-6-21)28(12-13-28)19-30-15-17-37-18-16-30;3-2(4,5)1(6)7/h3-10H,11-19H2,1-2H3;(H,6,7)
InChIKeyDHFOGQJPFDAUEY-UHFFFAOYSA-N
XLogP3.48
TPSA131.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid (CID 44581419) is 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid is COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is DHFOGQJPFDAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S.C2HF3O2/c1-36-23-9-7-22(8-10-23)32-25-24(26(29-32)38(2,34)35)11-14-31(27(25)33)21-5-3-20(4-6-21)28(12-13-28)19-30-15-17-37-18-16-30;3-2(4,5)1(6)7/h3-10H,11-19H2,1-2H3;(H,6,7).
What are the key properties of 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid?
1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid has a molecular weight of 650.68 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44581419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).