1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea

C24H26N8O4 — CID 70155765

IUPAC1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
SMILESO=C(Nc1cccc2c1C(=O)C1=C(C3CCN(C(=O)n4ccnc4)CC3)N=NC12)NN1CCOCC1
InChIInChI=1S/C24H26N8O4/c33-22-18-16(2-1-3-17(18)26-23(34)29-32-10-12-36-13-11-32)21-19(22)20(27-28-21)15-4-7-30(8-5-15)24(35)31-9-6-25-14-31/h1-3,6,9,14-15,21H,4-5,7-8,10-13H2,(H2,26,29,34)
InChIKeyAIUOPJPRVIIVMZ-UHFFFAOYSA-N
MW490.52 g/mol
LogP2.59
Rot. Bonds3

About 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea

1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea (PubChem CID 70155765) has the molecular formula C24H26N8O4 and a molecular weight of 490.52 g/mol. Its IUPAC name is 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
PubChem CID70155765
Molecular FormulaC24H26N8O4
Molecular Weight490.52 g/mol
Exact Mass490.21
IUPAC Name1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
SMILESO=C(Nc1cccc2c1C(=O)C1=C(C3CCN(C(=O)n4ccnc4)CC3)N=NC12)NN1CCOCC1
InChIInChI=1S/C24H26N8O4/c33-22-18-16(2-1-3-17(18)26-23(34)29-32-10-12-36-13-11-32)21-19(22)20(27-28-21)15-4-7-30(8-5-15)24(35)31-9-6-25-14-31/h1-3,6,9,14-15,21H,4-5,7-8,10-13H2,(H2,26,29,34)
InChIKeyAIUOPJPRVIIVMZ-UHFFFAOYSA-N
XLogP2.59
TPSA133.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
The IUPAC name of 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea (CID 70155765) is 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea.
What is the SMILES notation for 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
The canonical SMILES for 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea is O=C(Nc1cccc2c1C(=O)C1=C(C3CCN(C(=O)n4ccnc4)CC3)N=NC12)NN1CCOCC1.
What is the InChIKey of 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
The InChIKey is AIUOPJPRVIIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O4/c33-22-18-16(2-1-3-17(18)26-23(34)29-32-10-12-36-13-11-32)21-19(22)20(27-28-21)15-4-7-30(8-5-15)24(35)31-9-6-25-14-31/h1-3,6,9,14-15,21H,4-5,7-8,10-13H2,(H2,26,29,34).
What are the key properties of 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea has a molecular weight of 490.52 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(imidazole-1-carbonyl)piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea is sourced from PubChem (CID 70155765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).