1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)

C88H110N20O5 — CID 123593563

IUPAC1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)
SMILESCCN(CC)CCNC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12.CCc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.Cc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.Cc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1
InChIInChI=1S/C23H29N5O.2C22H27N5O.C21H27N5O2/c1-3-16-6-8-17(9-7-16)18-10-11-20-21(15-18)26-27-22(20)25-23(29)24-13-12-19-5-4-14-28(19)2;2*1-15-5-7-16(8-6-15)17-9-10-19-20(14-17)25-26-21(19)24-22(28)23-12-11-18-4-3-13-27(18)2;1-4-26(5-2)13-12-22-21(27)23-20-17-11-10-15(14-18(17)24-25-20)16-8-6-7-9-19(16)28-3/h6-11,15,19H,3-5,12-14H2,1-2H3,(H3,24,25,26,27,29);2*5-10,14,18H,3-4,11-13H2,1-2H3,(H3,23,24,25,26,28);6-11,14H,4-5,12-13H2,1-3H3,(H3,22,23,24,25,27)
InChIKeyGABPAMZJBLVVFW-UHFFFAOYSA-N
MW1527.98 g/mol
LogP16.39
Rot. Bonds24

About 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)

1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea) (PubChem CID 123593563) has the molecular formula C88H110N20O5 and a molecular weight of 1527.98 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea).

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)
PubChem CID123593563
Molecular FormulaC88H110N20O5
Molecular Weight1527.98 g/mol
Exact Mass1526.90
IUPAC Name1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)
SMILESCCN(CC)CCNC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12.CCc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.Cc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.Cc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1
InChIInChI=1S/C23H29N5O.2C22H27N5O.C21H27N5O2/c1-3-16-6-8-17(9-7-16)18-10-11-20-21(15-18)26-27-22(20)25-23(29)24-13-12-19-5-4-14-28(19)2;2*1-15-5-7-16(8-6-15)17-9-10-19-20(14-17)25-26-21(19)24-22(28)23-12-11-18-4-3-13-27(18)2;1-4-26(5-2)13-12-22-21(27)23-20-17-11-10-15(14-18(17)24-25-20)16-8-6-7-9-19(16)28-3/h6-11,15,19H,3-5,12-14H2,1-2H3,(H3,24,25,26,27,29);2*5-10,14,18H,3-4,11-13H2,1-2H3,(H3,23,24,25,26,28);6-11,14H,4-5,12-13H2,1-3H3,(H3,22,23,24,25,27)
InChIKeyGABPAMZJBLVVFW-UHFFFAOYSA-N
XLogP16.39
TPSA301.43 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001527.98
LogP ≤ 516.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea) (CID 123593563) is 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea).
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea) is CCN(CC)CCNC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12.CCc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.Cc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.Cc1ccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)cc1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)?
The InChIKey is GABPAMZJBLVVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.2C22H27N5O.C21H27N5O2/c1-3-16-6-8-17(9-7-16)18-10-11-20-21(15-18)26-27-22(20)25-23(29)24-13-12-19-5-4-14-28(19)2;2*1-15-5-7-16(8-6-15)17-9-10-19-20(14-17)25-26-21(19)24-22(28)23-12-11-18-4-3-13-27(18)2;1-4-26(5-2)13-12-22-21(27)23-20-17-11-10-15(14-18(17)24-25-20)16-8-6-7-9-19(16)28-3/h6-11,15,19H,3-5,12-14H2,1-2H3,(H3,24,25,26,27,29);2*5-10,14,18H,3-4,11-13H2,1-2H3,(H3,23,24,25,26,28);6-11,14H,4-5,12-13H2,1-3H3,(H3,22,23,24,25,27).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea)?
1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea) has a molecular weight of 1527.98 g/mol, XLogP of 16.39, 24 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[6-(2-methoxyphenyl)-1H-indazol-3-yl]urea;1-[6-(4-ethylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea;bis(1-[6-(4-methylphenyl)-1H-indazol-3-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea) is sourced from PubChem (CID 123593563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).