1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea

C25H32N8O4 — CID 70155891

IUPAC1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
SMILESNC(=O)N(c1cccc2c1C(=O)c1c-2n[nH]c1C1CCN(C(=O)N2CCNCC2)CC1)N1CCOCC1
InChIInChI=1S/C25H32N8O4/c26-24(35)33(32-12-14-37-15-13-32)18-3-1-2-17-19(18)23(34)20-21(28-29-22(17)20)16-4-8-30(9-5-16)25(36)31-10-6-27-7-11-31/h1-3,16,27H,4-15H2,(H2,26,35)(H,28,29)
InChIKeyRGUKQWNVUFNAFV-UHFFFAOYSA-N
MW508.58 g/mol
LogP0.96
Rot. Bonds3

About 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea

1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea (PubChem CID 70155891) has the molecular formula C25H32N8O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
PubChem CID70155891
Molecular FormulaC25H32N8O4
Molecular Weight508.58 g/mol
Exact Mass508.25
IUPAC Name1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
SMILESNC(=O)N(c1cccc2c1C(=O)c1c-2n[nH]c1C1CCN(C(=O)N2CCNCC2)CC1)N1CCOCC1
InChIInChI=1S/C25H32N8O4/c26-24(35)33(32-12-14-37-15-13-32)18-3-1-2-17-19(18)23(34)20-21(28-29-22(17)20)16-4-8-30(9-5-16)25(36)31-10-6-27-7-11-31/h1-3,16,27H,4-15H2,(H2,26,35)(H,28,29)
InChIKeyRGUKQWNVUFNAFV-UHFFFAOYSA-N
XLogP0.96
TPSA140.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
The IUPAC name of 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea (CID 70155891) is 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea.
What is the SMILES notation for 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
The canonical SMILES for 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea is NC(=O)N(c1cccc2c1C(=O)c1c-2n[nH]c1C1CCN(C(=O)N2CCNCC2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
The InChIKey is RGUKQWNVUFNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O4/c26-24(35)33(32-12-14-37-15-13-32)18-3-1-2-17-19(18)23(34)20-21(28-29-22(17)20)16-4-8-30(9-5-16)25(36)31-10-6-27-7-11-31/h1-3,16,27H,4-15H2,(H2,26,35)(H,28,29).
What are the key properties of 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea has a molecular weight of 508.58 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-1-[4-oxo-3-[1-(piperazine-1-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea is sourced from PubChem (CID 70155891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).