N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate

C105H73Cl5N30O7 — CID 158524843

IUPACN-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
SMILESCC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.CCC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.COC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)CC1CCCC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)O
InChIInChI=1S/C25H21ClN6O.C21H15ClN6O.C20H13ClN6O2.C20H13ClN6O.C19H11ClN6O2/c26-19-12-17(11-18-14-28-32-22(18)19)24-23(16-8-2-1-3-9-16)31-25(20(13-27)29-24)30-21(33)10-15-6-4-5-7-15;1-2-17(29)26-21-16(10-23)25-20(19(27-21)12-6-4-3-5-7-12)13-8-14-11-24-28-18(14)15(22)9-13;1-29-20(28)26-19-15(9-22)24-18(17(25-19)11-5-3-2-4-6-11)12-7-13-10-23-27-16(13)14(21)8-12;1-11(28)24-20-16(9-22)25-19(18(26-20)12-5-3-2-4-6-12)13-7-14-10-23-27-17(14)15(21)8-13;20-13-7-11(6-12-9-22-26-15(12)13)17-16(10-4-2-1-3-5-10)24-18(25-19(27)28)14(8-21)23-17/h1-3,8-9,11-12,14-15H,4-7,10H2,(H,28,32)(H,30,31,33);3-9,11H,2H2,1H3,(H,24,28)(H,26,27,29);2-8,10H,1H3,(H,23,27)(H,25,26,28);2-8,10H,1H3,(H,23,27)(H,24,26,28);1-7,9H,(H,22,26)(H,24,25)(H,27,28)
InChIKeyHMQZKADGJKQMCQ-UHFFFAOYSA-N
MW2044.21 g/mol
LogP23.15
Rot. Bonds18

About N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate

N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate (PubChem CID 158524843) has the molecular formula C105H73Cl5N30O7 and a molecular weight of 2044.21 g/mol. Its IUPAC name is N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate.

Molecular Properties

Compound NameN-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
PubChem CID158524843
Molecular FormulaC105H73Cl5N30O7
Molecular Weight2044.21 g/mol
Exact Mass2040.47
IUPAC NameN-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
SMILESCC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.CCC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.COC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)CC1CCCC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)O
InChIInChI=1S/C25H21ClN6O.C21H15ClN6O.C20H13ClN6O2.C20H13ClN6O.C19H11ClN6O2/c26-19-12-17(11-18-14-28-32-22(18)19)24-23(16-8-2-1-3-9-16)31-25(20(13-27)29-24)30-21(33)10-15-6-4-5-7-15;1-2-17(29)26-21-16(10-23)25-20(19(27-21)12-6-4-3-5-7-12)13-8-14-11-24-28-18(14)15(22)9-13;1-29-20(28)26-19-15(9-22)24-18(17(25-19)11-5-3-2-4-6-11)12-7-13-10-23-27-16(13)14(21)8-12;1-11(28)24-20-16(9-22)25-19(18(26-20)12-5-3-2-4-6-12)13-7-14-10-23-27-17(14)15(21)8-13;20-13-7-11(6-12-9-22-26-15(12)13)17-16(10-4-2-1-3-5-10)24-18(25-19(27)28)14(8-21)23-17/h1-3,8-9,11-12,14-15H,4-7,10H2,(H,28,32)(H,30,31,33);3-9,11H,2H2,1H3,(H,24,28)(H,26,27,29);2-8,10H,1H3,(H,23,27)(H,25,26,28);2-8,10H,1H3,(H,23,27)(H,24,26,28);1-7,9H,(H,22,26)(H,24,25)(H,27,28)
InChIKeyHMQZKADGJKQMCQ-UHFFFAOYSA-N
XLogP23.15
TPSA566.21 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.21
LogP ≤ 523.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate?
The IUPAC name of N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate (CID 158524843) is N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate.
What is the SMILES notation for N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate?
The canonical SMILES for N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate is CC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.CCC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.COC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)CC1CCCC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)O.
What is the InChIKey of N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate?
The InChIKey is HMQZKADGJKQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O.C21H15ClN6O.C20H13ClN6O2.C20H13ClN6O.C19H11ClN6O2/c26-19-12-17(11-18-14-28-32-22(18)19)24-23(16-8-2-1-3-9-16)31-25(20(13-27)29-24)30-21(33)10-15-6-4-5-7-15;1-2-17(29)26-21-16(10-23)25-20(19(27-21)12-6-4-3-5-7-12)13-8-14-11-24-28-18(14)15(22)9-13;1-29-20(28)26-19-15(9-22)24-18(17(25-19)11-5-3-2-4-6-11)12-7-13-10-23-27-16(13)14(21)8-12;1-11(28)24-20-16(9-22)25-19(18(26-20)12-5-3-2-4-6-12)13-7-14-10-23-27-17(14)15(21)8-13;20-13-7-11(6-12-9-22-26-15(12)13)17-16(10-4-2-1-3-5-10)24-18(25-19(27)28)14(8-21)23-17/h1-3,8-9,11-12,14-15H,4-7,10H2,(H,28,32)(H,30,31,33);3-9,11H,2H2,1H3,(H,24,28)(H,26,27,29);2-8,10H,1H3,(H,23,27)(H,25,26,28);2-8,10H,1H3,(H,23,27)(H,24,26,28);1-7,9H,(H,22,26)(H,24,25)(H,27,28).
What are the key properties of N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate?
N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate has a molecular weight of 2044.21 g/mol, XLogP of 23.15, 18 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]acetamide;[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]propanamide;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate is sourced from PubChem (CID 158524843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).