1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea

C102H87Cl5N30O10 — CID 159904881

IUPAC1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
SMILESCC(C)(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CC(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CC1
InChIInChI=1S/C22H21ClN6O2.C21H17ClN6O2.C21H19ClN6O2.C20H17ClN6O2.C18H13ClN6O2/c1-22(2,3)28-21(31)27-19-20(30)26-18(17(25-19)12-7-5-4-6-8-12)13-9-14-11-24-29-16(14)15(23)10-13;22-15-9-12(8-13-10-23-28-16(13)15)18-17(11-4-2-1-3-5-11)25-19(20(29)26-18)27-21(30)24-14-6-7-14;1-11(2)24-21(30)27-19-20(29)26-18(17(25-19)12-6-4-3-5-7-12)13-8-14-10-23-28-16(14)15(22)9-13;1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12;19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h4-11H,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,31);1-5,8-10,14H,6-7H2,(H,23,28)(H,26,29)(H2,24,25,27,30);3-11H,1-2H3,(H,23,28)(H,26,29)(H2,24,25,27,30);3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29);1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27)
InChIKeyNWLBTWORWBJNEF-UHFFFAOYSA-N
MW2070.28 g/mol
LogP19.53
Rot. Bonds18

About 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea

1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea (PubChem CID 159904881) has the molecular formula C102H87Cl5N30O10 and a molecular weight of 2070.28 g/mol. Its IUPAC name is 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
PubChem CID159904881
Molecular FormulaC102H87Cl5N30O10
Molecular Weight2070.28 g/mol
Exact Mass2066.57
IUPAC Name1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
SMILESCC(C)(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CC(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CC1
InChIInChI=1S/C22H21ClN6O2.C21H17ClN6O2.C21H19ClN6O2.C20H17ClN6O2.C18H13ClN6O2/c1-22(2,3)28-21(31)27-19-20(30)26-18(17(25-19)12-7-5-4-6-8-12)13-9-14-11-24-29-16(14)15(23)10-13;22-15-9-12(8-13-10-23-28-16(13)15)18-17(11-4-2-1-3-5-11)25-19(20(29)26-18)27-21(30)24-14-6-7-14;1-11(2)24-21(30)27-19-20(29)26-18(17(25-19)12-6-4-3-5-7-12)13-8-14-10-23-28-16(14)15(22)9-13;1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12;19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h4-11H,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,31);1-5,8-10,14H,6-7H2,(H,23,28)(H,26,29)(H2,24,25,27,30);3-11H,1-2H3,(H,23,28)(H,26,29)(H2,24,25,27,30);3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29);1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27)
InChIKeyNWLBTWORWBJNEF-UHFFFAOYSA-N
XLogP19.53
TPSA591.79 Ų
H-Bond Donors20
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002070.28
LogP ≤ 519.53
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
The IUPAC name of 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea (CID 159904881) is 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea is CC(C)(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CC(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CC1.
What is the InChIKey of 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
The InChIKey is NWLBTWORWBJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2.C21H17ClN6O2.C21H19ClN6O2.C20H17ClN6O2.C18H13ClN6O2/c1-22(2,3)28-21(31)27-19-20(30)26-18(17(25-19)12-7-5-4-6-8-12)13-9-14-11-24-29-16(14)15(23)10-13;22-15-9-12(8-13-10-23-28-16(13)15)18-17(11-4-2-1-3-5-11)25-19(20(29)26-18)27-21(30)24-14-6-7-14;1-11(2)24-21(30)27-19-20(29)26-18(17(25-19)12-6-4-3-5-7-12)13-8-14-10-23-28-16(14)15(22)9-13;1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12;19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h4-11H,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,31);1-5,8-10,14H,6-7H2,(H,23,28)(H,26,29)(H2,24,25,27,30);3-11H,1-2H3,(H,23,28)(H,26,29)(H2,24,25,27,30);3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29);1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27).
What are the key properties of 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea?
1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea has a molecular weight of 2070.28 g/mol, XLogP of 19.53, 18 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea is sourced from PubChem (CID 159904881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).