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

C27H29N7O5S — CID 68882523

IUPACN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1CCCC1=O)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C27H29N7O5S/c35-19(6-2-10-33-11-3-7-21(33)36)29-20-9-8-18(40-20)25-23-24(30-31-25)16-4-1-5-17(22(16)26(23)37)28-27(38)32-34-12-14-39-15-13-34/h1,4-5,8-9,24H,2-3,6-7,10-15H2,(H,29,35)(H2,28,32,38)
InChIKeyLSTZTVLDXGBTHK-UHFFFAOYSA-N
MW563.64 g/mol
LogP3.57
Rot. Bonds8

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

N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 68882523) has the molecular formula C27H29N7O5S and a molecular weight of 563.64 g/mol. Its IUPAC name is N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID68882523
Molecular FormulaC27H29N7O5S
Molecular Weight563.64 g/mol
Exact Mass563.20
IUPAC NameN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1CCCC1=O)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C27H29N7O5S/c35-19(6-2-10-33-11-3-7-21(33)36)29-20-9-8-18(40-20)25-23-24(30-31-25)16-4-1-5-17(22(16)26(23)37)28-27(38)32-34-12-14-39-15-13-34/h1,4-5,8-9,24H,2-3,6-7,10-15H2,(H,29,35)(H2,28,32,38)
InChIKeyLSTZTVLDXGBTHK-UHFFFAOYSA-N
XLogP3.57
TPSA144.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.64
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 68882523) is N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is O=C(CCCN1CCCC1=O)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1.
What is the InChIKey of N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is LSTZTVLDXGBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O5S/c35-19(6-2-10-33-11-3-7-21(33)36)29-20-9-8-18(40-20)25-23-24(30-31-25)16-4-1-5-17(22(16)26(23)37)28-27(38)32-34-12-14-39-15-13-34/h1,4-5,8-9,24H,2-3,6-7,10-15H2,(H,29,35)(H2,28,32,38).
What are the key properties of N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 563.64 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 68882523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).