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

C25H28N8O4S — CID 68882544

IUPAC4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(C3=C4C(=O)c5c(NC(=O)NN6CCOCC6)cccc5C4N=N3)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/h2-6,21H,7-14H2,1H3,(H,27,36)(H2,26,30,35)
InChIKeyNFVICWKLWJIGRR-UHFFFAOYSA-N
MW536.62 g/mol
LogP3.01
Rot. Bonds4

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

4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide (PubChem CID 68882544) 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-8bH-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-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide
PubChem CID68882544
Molecular FormulaC25H28N8O4S
Molecular Weight536.62 g/mol
Exact Mass536.20
IUPAC Name4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(C3=C4C(=O)c5c(NC(=O)NN6CCOCC6)cccc5C4N=N3)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/h2-6,21H,7-14H2,1H3,(H,27,36)(H2,26,30,35)
InChIKeyNFVICWKLWJIGRR-UHFFFAOYSA-N
XLogP3.01
TPSA130.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.62
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-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-8bH-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-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide (CID 68882544) is 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-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-8bH-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-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(C3=C4C(=O)c5c(NC(=O)NN6CCOCC6)cccc5C4N=N3)s2)CC1.
What is the InChIKey of 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide?
The InChIKey is NFVICWKLWJIGRR-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/h2-6,21H,7-14H2,1H3,(H,27,36)(H2,26,30,35).
What are the key properties of 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide?
4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 68882544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).