4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide

C25H28N8O4S — CID 68882543

IUPAC4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)s2)CC1
InChIInChI=1S/C25H28N8O4S/c1-31-7-9-32(10-8-31)25(36)27-18-6-5-17(38-18)22-20-21(28-29-22)15-3-2-4-16(19(15)23(20)34)26-24(35)30-33-11-13-37-14-12-33/h2-6H,7-14H2,1H3,(H,27,36)(H,28,29)(H2,26,30,35)
InChIKeyDABRWXVWDGUSGB-UHFFFAOYSA-N
MW536.62 g/mol
LogP2.50
Rot. Bonds4

About 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide

4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide (PubChem CID 68882543) has the molecular formula C25H28N8O4S and a molecular weight of 536.62 g/mol. Its IUPAC name is 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide
PubChem CID68882543
Molecular FormulaC25H28N8O4S
Molecular Weight536.62 g/mol
Exact Mass536.20
IUPAC Name4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)s2)CC1
InChIInChI=1S/C25H28N8O4S/c1-31-7-9-32(10-8-31)25(36)27-18-6-5-17(38-18)22-20-21(28-29-22)15-3-2-4-16(19(15)23(20)34)26-24(35)30-33-11-13-37-14-12-33/h2-6H,7-14H2,1H3,(H,27,36)(H,28,29)(H2,26,30,35)
InChIKeyDABRWXVWDGUSGB-UHFFFAOYSA-N
XLogP2.50
TPSA134.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.62
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide (CID 68882543) is 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)s2)CC1.
What is the InChIKey of 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide?
The InChIKey is DABRWXVWDGUSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O4S/c1-31-7-9-32(10-8-31)25(36)27-18-6-5-17(38-18)22-20-21(28-29-22)15-3-2-4-16(19(15)23(20)34)26-24(35)30-33-11-13-37-14-12-33/h2-6H,7-14H2,1H3,(H,27,36)(H,28,29)(H2,26,30,35).
What are the key properties of 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide?
4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 68882543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).