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

C32H45N5O4 — CID 143073782

IUPACcyclopentylmethanol;(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
SMILESC=C/C(=C\C=C(C)C)CC.Cc1[nH]nc2c1C(=O)c1c(NC(=O)NN3CCOCC3)cccc1-2.OCC1CCCC1
InChIInChI=1S/C16H17N5O3.C10H16.C6H12O/c1-9-12-14(19-18-9)10-3-2-4-11(13(10)15(12)22)17-16(23)20-21-5-7-24-8-6-21;1-5-10(6-2)8-7-9(3)4;7-5-6-3-1-2-4-6/h2-4H,5-8H2,1H3,(H,18,19)(H2,17,20,23);5,7-8H,1,6H2,2-4H3;6-7H,1-5H2/b;10-8+;
InChIKeySZKDDPLKLBEWHY-PWPIVAAGSA-N
MW563.74 g/mol
LogP5.94
Rot. Bonds6

About 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

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 (PubChem CID 143073782) has the molecular formula C32H45N5O4 and a molecular weight of 563.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclopentylmethanol;(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
PubChem CID143073782
Molecular FormulaC32H45N5O4
Molecular Weight563.74 g/mol
Exact Mass563.35
IUPAC Namecyclopentylmethanol;(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
SMILESC=C/C(=C\C=C(C)C)CC.Cc1[nH]nc2c1C(=O)c1c(NC(=O)NN3CCOCC3)cccc1-2.OCC1CCCC1
InChIInChI=1S/C16H17N5O3.C10H16.C6H12O/c1-9-12-14(19-18-9)10-3-2-4-11(13(10)15(12)22)17-16(23)20-21-5-7-24-8-6-21;1-5-10(6-2)8-7-9(3)4;7-5-6-3-1-2-4-6/h2-4H,5-8H2,1H3,(H,18,19)(H2,17,20,23);5,7-8H,1,6H2,2-4H3;6-7H,1-5H2/b;10-8+;
InChIKeySZKDDPLKLBEWHY-PWPIVAAGSA-N
XLogP5.94
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-[3-[4-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 18188243
1-(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
CID 22449181
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-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
CID 70155822
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-[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-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
CID 162322680
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
N-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-8-yl)acetamide
CID 11096756
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
ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate
CID 70157024

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C(=C\C=C(C)C)CC.Cc1[nH]nc2c1C(=O)c1c(NC(=O)NN3CCOCC3)cccc1-2.OCC1CCCC1.
What is the InChIKey of 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?
The InChIKey is SZKDDPLKLBEWHY-PWPIVAAGSA-N. The full InChI is InChI=1S/C16H17N5O3.C10H16.C6H12O/c1-9-12-14(19-18-9)10-3-2-4-11(13(10)15(12)22)17-16(23)20-21-5-7-24-8-6-21;1-5-10(6-2)8-7-9(3)4;7-5-6-3-1-2-4-6/h2-4H,5-8H2,1H3,(H,18,19)(H2,17,20,23);5,7-8H,1,6H2,2-4H3;6-7H,1-5H2/b;10-8+;.
What are the key properties of 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?
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 has a molecular weight of 563.74 g/mol, XLogP of 5.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143073782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).