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

C26H29N7O4S — CID 68881740

IUPACN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C26H29N7O4S/c34-19(8-11-32-9-1-2-10-32)28-20-7-6-18(38-20)24-22-23(29-30-24)16-4-3-5-17(21(16)25(22)35)27-26(36)31-33-12-14-37-15-13-33/h3-7,23H,1-2,8-15H2,(H,28,34)(H2,27,31,36)
InChIKeyCJEDUKRCPAZMEA-UHFFFAOYSA-N
MW535.63 g/mol
LogP3.66
Rot. Bonds7

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

N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 68881740) has the molecular formula C26H29N7O4S and a molecular weight of 535.63 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]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID68881740
Molecular FormulaC26H29N7O4S
Molecular Weight535.63 g/mol
Exact Mass535.20
IUPAC NameN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C26H29N7O4S/c34-19(8-11-32-9-1-2-10-32)28-20-7-6-18(38-20)24-22-23(29-30-24)16-4-3-5-17(21(16)25(22)35)27-26(36)31-33-12-14-37-15-13-33/h3-7,23H,1-2,8-15H2,(H,28,34)(H2,27,31,36)
InChIKeyCJEDUKRCPAZMEA-UHFFFAOYSA-N
XLogP3.66
TPSA127.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.63
LogP ≤ 53.66
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]-3-pyrrolidin-1-ylpropanamide 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]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide (CID 68881740) is N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide.
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]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)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]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is CJEDUKRCPAZMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S/c34-19(8-11-32-9-1-2-10-32)28-20-7-6-18(38-20)24-22-23(29-30-24)16-4-3-5-17(21(16)25(22)35)27-26(36)31-33-12-14-37-15-13-33/h3-7,23H,1-2,8-15H2,(H,28,34)(H2,27,31,36).
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]-3-pyrrolidin-1-ylpropanamide?
N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 535.63 g/mol, XLogP of 3.66, 7 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]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 68881740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).