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

C25H26N6O4S — CID 70155822

IUPAC1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
SMILESO=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1C1CCN(C(=O)c2cccs2)CC1)NN1CCOCC1
InChIInChI=1S/C25H26N6O4S/c32-23-19-16(3-1-4-17(19)26-25(34)29-31-10-12-35-13-11-31)22-20(23)21(27-28-22)15-6-8-30(9-7-15)24(33)18-5-2-14-36-18/h1-5,14-15H,6-13H2,(H,27,28)(H2,26,29,34)
InChIKeyROHOZBVRQBLVKK-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.07
Rot. Bonds4

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

1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea (PubChem CID 70155822) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
PubChem CID70155822
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC Name1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
SMILESO=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1C1CCN(C(=O)c2cccs2)CC1)NN1CCOCC1
InChIInChI=1S/C25H26N6O4S/c32-23-19-16(3-1-4-17(19)26-25(34)29-31-10-12-35-13-11-31)22-20(23)21(27-28-22)15-6-8-30(9-7-15)24(33)18-5-2-14-36-18/h1-5,14-15H,6-13H2,(H,27,28)(H2,26,29,34)
InChIKeyROHOZBVRQBLVKK-UHFFFAOYSA-N
XLogP3.07
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-morpholin-4-yl-3-[4-oxo-3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 70154952
1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
CID 162322680
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
1-[3-[4-[6-hydroxy-4-(2-hydroxyethyl)-3-methylidenehexoxy]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160799
2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 58741117
1-[3-[5-(4-methyl-1,4-diazepane-1-carbonyl)thiophen-2-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 70156581
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate
CID 70157024
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55849670
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628866

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
The IUPAC name of 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea (CID 70155822) is 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
The canonical SMILES for 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea is O=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1C1CCN(C(=O)c2cccs2)CC1)NN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
The InChIKey is ROHOZBVRQBLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c32-23-19-16(3-1-4-17(19)26-25(34)29-31-10-12-35-13-11-31)22-20(23)21(27-28-22)15-6-8-30(9-7-15)24(33)18-5-2-14-36-18/h1-5,14-15H,6-13H2,(H,27,28)(H2,26,29,34).
What are the key properties of 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea?
1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea has a molecular weight of 506.59 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea is sourced from PubChem (CID 70155822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).