1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride

C25H29Cl2N7O5S — CID 162322680

IUPAC1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n[nH]c1-2)NN1CCOCC1
InChIInChI=1S/C25H27N7O5S.2ClH/c33-24-20-18(2-1-3-19(20)27-25(34)30-31-12-14-37-15-13-31)23-21(24)22(28-29-23)16-4-6-17(7-5-16)38(35,36)32-10-8-26-9-11-32;;/h1-7,26H,8-15H2,(H,28,29)(H2,27,30,34);2*1H
InChIKeyAYNXUSVGLXNXDR-UHFFFAOYSA-N
MW610.52 g/mol
LogP2.09
Rot. Bonds5

About 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride

1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride (PubChem CID 162322680) has the molecular formula C25H29Cl2N7O5S and a molecular weight of 610.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
PubChem CID162322680
Molecular FormulaC25H29Cl2N7O5S
Molecular Weight610.52 g/mol
Exact Mass609.13
IUPAC Name1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n[nH]c1-2)NN1CCOCC1
InChIInChI=1S/C25H27N7O5S.2ClH/c33-24-20-18(2-1-3-19(20)27-25(34)30-31-12-14-37-15-13-31)23-21(24)22(28-29-23)16-4-6-17(7-5-16)38(35,36)32-10-8-26-9-11-32;;/h1-7,26H,8-15H2,(H,28,29)(H2,27,30,34);2*1H
InChIKeyAYNXUSVGLXNXDR-UHFFFAOYSA-N
XLogP2.09
TPSA148.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.52
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 11285002
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
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
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
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
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
N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642
3-amino-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 54260593
cyclopentylmethanol;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;1-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-morpholin-4-ylurea
CID 143073782

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride (CID 162322680) is 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride is Cl.Cl.O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n[nH]c1-2)NN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride?
The InChIKey is AYNXUSVGLXNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O5S.2ClH/c33-24-20-18(2-1-3-19(20)27-25(34)30-31-12-14-37-15-13-31)23-21(24)22(28-29-23)16-4-6-17(7-5-16)38(35,36)32-10-8-26-9-11-32;;/h1-7,26H,8-15H2,(H,28,29)(H2,27,30,34);2*1H.
What are the key properties of 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride?
1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride has a molecular weight of 610.52 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride is sourced from PubChem (CID 162322680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).