1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C68H79N21O9 — CID 158220911

IUPAC1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@@H](C)OC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@H](C)O)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@H](C)OC)c(=O)c3)cc2[nH]1
InChIInChI=1S/2C23H27N7O3.C22H25N7O3/c2*1-5-24-23(32)28-22-26-18-11-17(12-19(21(18)27-22)30-9-6-8-25-30)16-7-10-29(20(31)13-16)14(2)15(3)33-4;1-4-23-22(32)27-21-25-17-10-16(11-18(20(17)26-21)29-8-5-7-24-29)15-6-9-28(19(31)12-15)13(2)14(3)30/h2*6-15H,5H2,1-4H3,(H3,24,26,27,28,32);5-14,30H,4H2,1-3H3,(H3,23,25,26,27,32)/t14-,15+;14-,15-;13-,14-/m000/s1
InChIKeyGDFPVKJBCGMGQA-GURFJWAPSA-N
MW1334.52 g/mol
LogP9.29
Rot. Bonds20

About 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158220911) has the molecular formula C68H79N21O9 and a molecular weight of 1334.52 g/mol. Its IUPAC name is 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID158220911
Molecular FormulaC68H79N21O9
Molecular Weight1334.52 g/mol
Exact Mass1333.64
IUPAC Name1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@@H](C)OC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@H](C)O)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@H](C)OC)c(=O)c3)cc2[nH]1
InChIInChI=1S/2C23H27N7O3.C22H25N7O3/c2*1-5-24-23(32)28-22-26-18-11-17(12-19(21(18)27-22)30-9-6-8-25-30)16-7-10-29(20(31)13-16)14(2)15(3)33-4;1-4-23-22(32)27-21-25-17-10-16(11-18(20(17)26-21)29-8-5-7-24-29)15-6-9-28(19(31)12-15)13(2)14(3)30/h2*6-15H,5H2,1-4H3,(H3,24,26,27,28,32);5-14,30H,4H2,1-3H3,(H3,23,25,26,27,32)/t14-,15+;14-,15-;13-,14-/m000/s1
InChIKeyGDFPVKJBCGMGQA-GURFJWAPSA-N
XLogP9.29
TPSA367.58 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001334.52
LogP ≤ 59.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11154388
1-ethyl-3-[6-(5-oxo-2,3-dihydro-1H-indolizin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11165581
1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11211115
1-[6-(1-benzyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11213172
1-[6-[1-[2-(diethylamino)ethyl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11328710
1-ethyl-3-[6-[2-oxo-1-(oxolan-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11339822
1-[6-(1,4-dimethyl-5-oxoimidazo[4,5-b]pyridin-7-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 11373816
1-ethyl-3-[6-[1-(2-morpholin-4-ylethyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11454363
1-[6-(1-benzyl-6-oxo-2,3-dihydropyridin-4-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 16066672
1-ethyl-3-[6-(1-ethyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 44133873
1-ethyl-3-[6-[1-(2-methoxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 44134048
1-ethyl-3-[6-[1-(2-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 44134049

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 158220911) is 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@@H](C)OC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@H](C)O)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn([C@@H](C)[C@H](C)OC)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is GDFPVKJBCGMGQA-GURFJWAPSA-N. The full InChI is InChI=1S/2C23H27N7O3.C22H25N7O3/c2*1-5-24-23(32)28-22-26-18-11-17(12-19(21(18)27-22)30-9-6-8-25-30)16-7-10-29(20(31)13-16)14(2)15(3)33-4;1-4-23-22(32)27-21-25-17-10-16(11-18(20(17)26-21)29-8-5-7-24-29)15-6-9-28(19(31)12-15)13(2)14(3)30/h2*6-15H,5H2,1-4H3,(H3,24,26,27,28,32);5-14,30H,4H2,1-3H3,(H3,23,25,26,27,32)/t14-,15+;14-,15-;13-,14-/m000/s1.
What are the key properties of 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1334.52 g/mol, XLogP of 9.29, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[1-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3S)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(2S,3R)-3-methoxybutan-2-yl]-2-oxo-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158220911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).