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

C27H31N7O4S — CID 68881488

IUPACN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C27H31N7O4S/c35-20(9-12-33-10-2-1-3-11-33)29-21-8-7-19(39-21)25-23-24(30-31-25)17-5-4-6-18(22(17)26(23)36)28-27(37)32-34-13-15-38-16-14-34/h4-8,24H,1-3,9-16H2,(H,29,35)(H2,28,32,37)
InChIKeyOMMWOAILXCRGLB-UHFFFAOYSA-N
MW549.66 g/mol
LogP4.05
Rot. Bonds7

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

N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-piperidin-1-ylpropanamide (PubChem CID 68881488) has the molecular formula C27H31N7O4S and a molecular weight of 549.66 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-piperidin-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-piperidin-1-ylpropanamide
PubChem CID68881488
Molecular FormulaC27H31N7O4S
Molecular Weight549.66 g/mol
Exact Mass549.22
IUPAC NameN-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)s1
InChIInChI=1S/C27H31N7O4S/c35-20(9-12-33-10-2-1-3-11-33)29-21-8-7-19(39-21)25-23-24(30-31-25)17-5-4-6-18(22(17)26(23)36)28-27(37)32-34-13-15-38-16-14-34/h4-8,24H,1-3,9-16H2,(H,29,35)(H2,28,32,37)
InChIKeyOMMWOAILXCRGLB-UHFFFAOYSA-N
XLogP4.05
TPSA127.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.66
LogP ≤ 54.05
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-piperidin-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-piperidin-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-piperidin-1-ylpropanamide (CID 68881488) is N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-piperidin-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-piperidin-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-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)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-piperidin-1-ylpropanamide?
The InChIKey is OMMWOAILXCRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4S/c35-20(9-12-33-10-2-1-3-11-33)29-21-8-7-19(39-21)25-23-24(30-31-25)17-5-4-6-18(22(17)26(23)36)28-27(37)32-34-13-15-38-16-14-34/h4-8,24H,1-3,9-16H2,(H,29,35)(H2,28,32,37).
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-piperidin-1-ylpropanamide?
N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 549.66 g/mol, XLogP of 4.05, 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-piperidin-1-ylpropanamide is sourced from PubChem (CID 68881488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).