[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C24H26N4O2S — CID 123865604

IUPAC[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCN(C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2SC3)cc1
InChIInChI=1S/C24H26N4O2S/c1-26(2)15-17-7-9-18(10-8-17)28-23-19-5-3-4-6-21(19)31-16-20(23)22(25-28)24(29)27-11-13-30-14-12-27/h3-10H,11-16H2,1-2H3
InChIKeyFJZBMAZNWAWHCM-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.68
Rot. Bonds4

About [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 123865604) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID123865604
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCN(C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2SC3)cc1
InChIInChI=1S/C24H26N4O2S/c1-26(2)15-17-7-9-18(10-8-17)28-23-19-5-3-4-6-21(19)31-16-20(23)22(25-28)24(29)27-11-13-30-14-12-27/h3-10H,11-16H2,1-2H3
InChIKeyFJZBMAZNWAWHCM-UHFFFAOYSA-N
XLogP3.68
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 123865604) is [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is CN(C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2SC3)cc1.
What is the InChIKey of [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FJZBMAZNWAWHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-26(2)15-17-7-9-18(10-8-17)28-23-19-5-3-4-6-21(19)31-16-20(23)22(25-28)24(29)27-11-13-30-14-12-27/h3-10H,11-16H2,1-2H3.
What are the key properties of [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 434.57 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 123865604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).