3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide

C24H27N7O4S — CID 68882268

IUPAC3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C24H27N7O4S/c1-30(2)9-8-17(32)26-18-7-6-16(36-18)22-20-21(27-28-22)14-4-3-5-15(19(14)23(20)33)25-24(34)29-31-10-12-35-13-11-31/h3-7,21H,8-13H2,1-2H3,(H,26,32)(H2,25,29,34)
InChIKeyBLDLUOBKKSVZCZ-UHFFFAOYSA-N
MW509.59 g/mol
LogP3.12
Rot. Bonds7

About 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide

3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide (PubChem CID 68882268) has the molecular formula C24H27N7O4S and a molecular weight of 509.59 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide
PubChem CID68882268
Molecular FormulaC24H27N7O4S
Molecular Weight509.59 g/mol
Exact Mass509.18
IUPAC Name3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C24H27N7O4S/c1-30(2)9-8-17(32)26-18-7-6-16(36-18)22-20-21(27-28-22)14-4-3-5-15(19(14)23(20)33)25-24(34)29-31-10-12-35-13-11-31/h3-7,21H,8-13H2,1-2H3,(H,26,32)(H2,25,29,34)
InChIKeyBLDLUOBKKSVZCZ-UHFFFAOYSA-N
XLogP3.12
TPSA127.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide (CID 68882268) is 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide is CN(C)CCC(=O)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1.
What is the InChIKey of 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide?
The InChIKey is BLDLUOBKKSVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4S/c1-30(2)9-8-17(32)26-18-7-6-16(36-18)22-20-21(27-28-22)14-4-3-5-15(19(14)23(20)33)25-24(34)29-31-10-12-35-13-11-31/h3-7,21H,8-13H2,1-2H3,(H,26,32)(H2,25,29,34).
What are the key properties of 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide?
3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide has a molecular weight of 509.59 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]propanamide is sourced from PubChem (CID 68882268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).