3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine

C134H125Cl6N33O7 — CID 158970503

IUPAC3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine
SMILESCN1CC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCCC1
InChIInChI=1S/C23H23ClN6O.C23H20ClN5O2.C23H22ClN5O.C22H21ClN6O.C22H20ClN5O.C21H19ClN6O/c1-30-9-7-17(8-10-30)31-23-22(25)27-20(14-5-3-2-4-6-14)21(28-23)15-11-16-13-26-29-19(16)18(24)12-15;24-18-10-14(9-15-12-26-29-19(15)18)21-20(13-5-2-1-3-6-13)27-22(25)23(28-21)31-17-8-4-7-16(30)11-17;24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17;1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14;23-17-11-14(10-15-12-25-28-18(15)17)20-19(13-6-2-1-3-7-13)26-21(24)22(27-20)29-16-8-4-5-9-16;1-28-10-15(11-28)29-21-20(23)25-18(12-5-3-2-4-6-12)19(26-21)13-7-14-9-24-27-17(14)16(22)8-13/h2-6,11-13,17H,7-10H2,1H3,(H2,25,27)(H,26,29);1-3,5-6,9-10,12,17H,4,7-8,11H2,(H2,25,27)(H,26,29);1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29);2-6,9-11,16H,7-8,12H2,1H3,(H2,24,26)(H,25,28);1-3,6-7,10-12,16H,4-5,8-9H2,(H2,24,26)(H,25,28);2-9,15H,10-11H2,1H3,(H2,23,25)(H,24,27)
InChIKeyJNTGCUQNRIYVGS-UHFFFAOYSA-N
MW2522.42 g/mol
LogP27.71
Rot. Bonds24

About 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine

3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine (PubChem CID 158970503) has the molecular formula C134H125Cl6N33O7 and a molecular weight of 2522.42 g/mol. Its IUPAC name is 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine
PubChem CID158970503
Molecular FormulaC134H125Cl6N33O7
Molecular Weight2522.42 g/mol
Exact Mass2517.86
IUPAC Name3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine
SMILESCN1CC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCCC1
InChIInChI=1S/C23H23ClN6O.C23H20ClN5O2.C23H22ClN5O.C22H21ClN6O.C22H20ClN5O.C21H19ClN6O/c1-30-9-7-17(8-10-30)31-23-22(25)27-20(14-5-3-2-4-6-14)21(28-23)15-11-16-13-26-29-19(16)18(24)12-15;24-18-10-14(9-15-12-26-29-19(15)18)21-20(13-5-2-1-3-6-13)27-22(25)23(28-21)31-17-8-4-7-16(30)11-17;24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17;1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14;23-17-11-14(10-15-12-25-28-18(15)17)20-19(13-6-2-1-3-7-13)26-21(24)22(27-20)29-16-8-4-5-9-16;1-28-10-15(11-28)29-21-20(23)25-18(12-5-3-2-4-6-12)19(26-21)13-7-14-9-24-27-17(14)16(22)8-13/h2-6,11-13,17H,7-10H2,1H3,(H2,25,27)(H,26,29);1-3,5-6,9-10,12,17H,4,7-8,11H2,(H2,25,27)(H,26,29);1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29);2-6,9-11,16H,7-8,12H2,1H3,(H2,24,26)(H,25,28);1-3,6-7,10-12,16H,4-5,8-9H2,(H2,24,26)(H,25,28);2-9,15H,10-11H2,1H3,(H2,23,25)(H,24,27)
InChIKeyJNTGCUQNRIYVGS-UHFFFAOYSA-N
XLogP27.71
TPSA565.05 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.42
LogP ≤ 527.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine?
The IUPAC name of 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine (CID 158970503) is 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine.
What is the SMILES notation for 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine?
The canonical SMILES for 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine is CN1CC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.CN1CCC(Oc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC(=O)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCCCC1.
What is the InChIKey of 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine?
The InChIKey is JNTGCUQNRIYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O.C23H20ClN5O2.C23H22ClN5O.C22H21ClN6O.C22H20ClN5O.C21H19ClN6O/c1-30-9-7-17(8-10-30)31-23-22(25)27-20(14-5-3-2-4-6-14)21(28-23)15-11-16-13-26-29-19(16)18(24)12-15;24-18-10-14(9-15-12-26-29-19(15)18)21-20(13-5-2-1-3-6-13)27-22(25)23(28-21)31-17-8-4-7-16(30)11-17;24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17;1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14;23-17-11-14(10-15-12-25-28-18(15)17)20-19(13-6-2-1-3-7-13)26-21(24)22(27-20)29-16-8-4-5-9-16;1-28-10-15(11-28)29-21-20(23)25-18(12-5-3-2-4-6-12)19(26-21)13-7-14-9-24-27-17(14)16(22)8-13/h2-6,11-13,17H,7-10H2,1H3,(H2,25,27)(H,26,29);1-3,5-6,9-10,12,17H,4,7-8,11H2,(H2,25,27)(H,26,29);1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29);2-6,9-11,16H,7-8,12H2,1H3,(H2,24,26)(H,25,28);1-3,6-7,10-12,16H,4-5,8-9H2,(H2,24,26)(H,25,28);2-9,15H,10-11H2,1H3,(H2,23,25)(H,24,27).
What are the key properties of 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine?
3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine has a molecular weight of 2522.42 g/mol, XLogP of 27.71, 24 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxycyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)oxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)oxy-6-phenylpyrazin-2-amine is sourced from PubChem (CID 158970503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).