1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea

C27H28N6O5 — CID 11329770

IUPAC1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
SMILESO=C(Nc1cccc2c1C(=O)c1c(-c3ccc(OCC(=O)N4CCCC4)cc3)n[nH]c1-2)NN1CCOCC1
InChIInChI=1S/C27H28N6O5/c34-21(32-10-1-2-11-32)16-38-18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)35)28-27(36)31-33-12-14-37-15-13-33/h3-9H,1-2,10-16H2,(H,29,30)(H2,28,31,36)
InChIKeyOMMQSRSPCVTQEM-UHFFFAOYSA-N
MW516.56 g/mol
LogP2.66
Rot. Bonds6

About 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea

1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea (PubChem CID 11329770) has the molecular formula C27H28N6O5 and a molecular weight of 516.56 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
PubChem CID11329770
Molecular FormulaC27H28N6O5
Molecular Weight516.56 g/mol
Exact Mass516.21
IUPAC Name1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
SMILESO=C(Nc1cccc2c1C(=O)c1c(-c3ccc(OCC(=O)N4CCCC4)cc3)n[nH]c1-2)NN1CCOCC1
InChIInChI=1S/C27H28N6O5/c34-21(32-10-1-2-11-32)16-38-18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)35)28-27(36)31-33-12-14-37-15-13-33/h3-9H,1-2,10-16H2,(H,29,30)(H2,28,31,36)
InChIKeyOMMQSRSPCVTQEM-UHFFFAOYSA-N
XLogP2.66
TPSA128.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
CID 162322680
1-[4-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]-3-(4-propan-2-ylpiperazin-1-yl)urea;dihydrochloride
CID 162307756
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160795
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-oxo-3-(4-piperazin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 21350031
2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329739
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
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
ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
CID 143160800
N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The IUPAC name of 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea (CID 11329770) is 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The canonical SMILES for 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea is O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(OCC(=O)N4CCCC4)cc3)n[nH]c1-2)NN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea?
The InChIKey is OMMQSRSPCVTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O5/c34-21(32-10-1-2-11-32)16-38-18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)35)28-27(36)31-33-12-14-37-15-13-33/h3-9H,1-2,10-16H2,(H,29,30)(H2,28,31,36).
What are the key properties of 1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea?
1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea has a molecular weight of 516.56 g/mol, XLogP of 2.66, 6 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-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea is sourced from PubChem (CID 11329770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).